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    sonruan
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    somebody help me! I am trying to generate ADME and TOXICITY of a molecule, it has been a while, but I lost the results, now I am trying again and I am not getting it.

    Below is the .mol ​​of the molecule.

    ACD/Labs09061920283D

    62 70 0 0 0 0 0 0 0 0 1 V2000
    15.3316 -4.8585 1.6736 C 0 0 0 0 0 0 0 0 0 0 0 0
    16.2409 -5.8120 1.8552 C 0 0 0 0 0 0 0 0 0 0 0 0
    15.5782 -6.8417 0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0
    14.6530 -5.9127 -0.2155 C 0 0 0 0 0 0 0 0 0 0 0 0
    14.5504 -4.9084 0.6457 C 0 0 0 0 0 0 0 0 0 0 0 0
    15.6996 -7.9044 -0.8208 C 0 0 0 0 0 0 0 0 0 0 0 0
    16.6541 -9.8114 -1.3488 C 0 0 0 0 0 0 0 0 0 0 0 0
    15.8832 -9.9197 -2.4284 C 0 0 0 0 0 0 0 0 0 0 0 0
    15.0163 -9.0019 -2.6939 C 0 0 0 0 0 0 0 0 0 0 0 0
    14.8921 -7.9600 -1.8816 C 0 0 0 0 0 0 0 0 0 0 0 0
    13.9800 -6.9942 -2.1047 C 0 0 0 0 0 0 0 0 0 0 0 0
    13.8614 -6.0078 -1.3008 C 0 0 0 0 0 0 0 0 0 0 0 0
    13.1667 -5.2783 -1.4646 H 0 0 0 0 0 0 0 0 0 0 0 0
    13.3823 -7.0724 -2.9283 H 0 0 0 0 0 0 0 0 0 0 0 0
    15.2657 -4.0970 2.3466 H 0 0 0 0 0 0 0 0 0 0 0 0
    13.8501 -4.1827 0.4857 H 0 0 0 0 0 0 0 0 0 0 0 0
    15.9924 -10.7310 -3.0346 H 0 0 0 0 0 0 0 0 0 0 0 0
    14.4177 -9.0697 -3.5175 H 0 0 0 0 0 0 0 0 0 0 0 0
    16.3435 -6.7664 1.0495 N 0 0 0 0 0 0 0 0 0 0 0 0
    16.5637 -8.8203 -0.5817 N 0 0 0 0 0 0 0 0 0 0 0 0
    17.9173 -8.4202 1.2312 Cd 0 0 0 0 0 0 0 0 0 0 0 0
    17.0833 -9.2617 3.2351 Cl 0 0 0 0 0 0 0 0 0 0 0 0
    19.4308 -6.5951 0.3219 Cl 0 0 0 0 0 0 0 0 0 0 0 0
    20.0153 -9.7662 0.9648 Cl 0 0 0 0 0 0 0 0 0 0 0 0
    21.0309 -8.2414 -0.7078 Cd 0 0 0 0 0 0 0 0 0 0 0 0
    22.1059 -5.3715 -1.5719 C 0 0 0 0 0 0 0 0 0 0 0 0
    23.4839 -6.4888 -0.2814 C 0 0 0 0 0 0 0 0 0 0 0 0
    23.8745 -7.6926 0.2353 C 0 0 0 0 0 0 0 0 0 0 0 0
    23.5846 -9.8641 0.3351 C 0 0 0 0 0 0 0 0 0 0 0 0
    22.8287 -4.2646 -1.4109 C 0 0 0 0 0 0 0 0 0 0 0 0
    23.8745 -4.2834 -0.6514 C 0 0 0 0 0 0 0 0 0 0 0 0
    24.2463 -5.4167 -0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0
    22.5426 -3.4109 -1.8872 H 0 0 0 0 0 0 0 0 0 0 0 0
    24.4308 -3.4391 -0.5092 H 0 0 0 0 0 0 0 0 0 0 0 0
    25.3560 -5.5108 0.6899 C 0 0 0 0 0 0 0 0 0 0 0 0
    25.7203 -6.6356 1.1766 C 0 0 0 0 0 0 0 0 0 0 0 0
    25.0040 -7.7519 0.9403 C 0 0 0 0 0 0 0 0 0 0 0 0
    25.9076 -4.6674 0.8556 H 0 0 0 0 0 0 0 0 0 0 0 0
    26.5684 -6.7109 1.7385 H 0 0 0 0 0 0 0 0 0 0 0 0
    24.7047 -9.9959 1.0439 C 0 0 0 0 0 0 0 0 0 0 0 0
    25.0040 -10.9277 1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0
    25.3937 -8.9511 1.3601 C 0 0 0 0 0 0 0 0 0 0 0 0
    26.2493 -9.0358 1.9117 H 0 0 0 0 0 0 0 0 0 0 0 0
    22.4278 -6.4370 -0.9949 N 0 0 0 0 0 0 0 0 0 0 0 0
    23.1770 -8.7327 -0.0188 N 0 0 0 0 0 0 0 0 0 0 0 0
    20.4916 -9.0546 -2.8266 Cl 0 0 0 0 0 0 0 0 0 0 0 0
    17.1228 -5.7725 2.9584 C 0 0 0 0 0 0 0 0 0 0 0 0
    17.6038 -10.8176 -1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
    22.8391 -11.0059 -0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0
    20.9538 -5.3659 -2.3889 C 0 0 0 0 0 0 0 0 0 0 0 0
    17.0692 -6.6535 3.4892 H 0 0 0 0 0 0 0 0 0 0 0 0
    18.0923 -5.6633 2.6271 H 0 0 0 0 0 0 0 0 0 0 0 0
    16.9016 -4.9884 3.5824 H 0 0 0 0 0 0 0 0 0 0 0 0
    18.5168 -10.5569 -1.4768 H 0 0 0 0 0 0 0 0 0 0 0 0
    17.7337 -10.9579 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0
    17.3158 -11.7081 -1.4985 H 0 0 0 0 0 0 0 0 0 0 0 0
    22.0814 -11.1734 0.6429 H 0 0 0 0 0 0 0 0 0 0 0 0
    22.4042 -10.8788 -0.9554 H 0 0 0 0 0 0 0 0 0 0 0 0
    23.4424 -11.8370 -0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0
    20.9811 -4.5818 -3.0525 H 0 0 0 0 0 0 0 0 0 0 0 0
    20.8690 -6.2478 -2.9094 H 0 0 0 0 0 0 0 0 0 0 0 0
    20.1123 -5.2717 -1.8035 H 0 0 0 0 0 0 0 0 0 0 0 0
    1 2 4 0 0 0 0
    1 5 2 0 0 0 0
    1 15 1 0 0 0 0
    2 19 4 0 0 0 0
    2 47 1 0 0 0 0
    3 4 4 0 0 0 0
    3 6 1 0 0 0 0
    3 19 4 0 0 0 0
    4 5 4 0 0 0 0
    4 12 4 0 0 0 0
    5 16 1 0 0 0 0
    6 10 4 0 0 0 0
    6 20 4 0 0 0 0
    7 8 4 0 0 0 0
    7 20 4 0 0 0 0
    7 48 1 0 0 0 0
    8 9 2 0 0 0 0
    8 17 1 0 0 0 0
    9 10 4 0 0 0 0
    9 18 1 0 0 0 0
    10 11 4 0 0 0 0
    11 12 2 0 0 0 0
    11 14 1 0 0 0 0
    12 13 1 0 0 0 0
    19 21 1 0 0 0 0
    20 21 1 0 0 0 0
    21 22 1 0 0 0 0
    21 24 1 0 0 0 0
    21 23 1 0 0 0 0
    23 25 1 0 0 0 0
    24 25 1 0 0 0 0
    25 46 1 0 0 0 0
    25 44 1 0 0 0 0
    25 45 1 0 0 0 0
    26 30 4 0 0 0 0
    26 44 4 0 0 0 0
    26 50 1 0 0 0 0
    27 28 1 0 0 0 0
    27 32 4 0 0 0 0
    27 44 4 0 0 0 0
    28 37 4 0 0 0 0
    28 45 4 0 0 0 0
    29 40 4 0 0 0 0
    29 45 4 0 0 0 0
    29 49 1 0 0 0 0
    30 31 2 0 0 0 0
    30 33 1 0 0 0 0
    31 32 4 0 0 0 0
    31 34 1 0 0 0 0
    32 35 4 0 0 0 0
    35 36 2 0 0 0 0
    35 38 1 0 0 0 0
    36 37 4 0 0 0 0
    36 39 1 0 0 0 0
    37 42 4 0 0 0 0
    40 41 1 0 0 0 0
    40 42 2 0 0 0 0
    42 43 1 0 0 0 0
    47 51 1 0 0 0 0
    47 52 1 0 0 0 0
    47 53 1 0 0 0 0
    48 54 1 0 0 0 0
    48 55 1 0 0 0 0
    48 56 1 0 0 0 0
    49 57 1 0 0 0 0
    49 58 1 0 0 0 0
    49 59 1 0 0 0 0
    50 60 1 0 0 0 0
    50 61 1 0 0 0 0
    50 62 1 0 0 0 0
    M END

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