Molecular Properties | |
SMILES: | CS(=O)(=O)NC1CCC(NC(=O)c2cncnc2)CC1 |
MW: | 298.11 |
Fraction sp3: | 0.58 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 101.05 |
cLogP: | 0.07 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAR-TRE-be9ff7d2-42
0.492
MAR-TRE-e82e6c98-65
0.470
MAR-TRE-e82e6c98-78
0.465
MAR-TRE-a9136c7b-64
0.465
MAR-TRE-c317dd82-8
0.462
MAR-TRE-be9ff7d2-8
0.452
MAR-TRE-799db12b-29
0.441
MAR-TRE-c317dd82-89
0.432
MAR-TRE-a9136c7b-89
0.431
MAR-TRE-c317dd82-98
0.422
MAR-TRE-9d18ae8c-78
0.418
MAR-TRE-9d18ae8c-93
0.412
MAR-TRE-c317dd82-46
0.412
MAR-TRE-c317dd82-80
0.411
MAR-TRE-92684b97-57
0.406
MAR-TRE-c317dd82-44
0.392
MAR-TRE-c317dd82-82
0.391
MAR-TRE-be9ff7d2-88
0.388
MAR-TRE-be9ff7d2-56
0.375
MAR-TRE-e82e6c98-99
0.373
MAR-TRE-e82e6c98-81
0.366
MAR-TRE-66ac689e-13
0.366
MAR-TRE-c317dd82-3
0.361
MAR-TRE-92684b97-39
0.361
MAR-TRE-92684b97-62
0.360
MAR-TRE-4f781e27-77
0.360
MAR-TRE-e82e6c98-69
0.358
MAR-TRE-92684b97-20
0.356
MAR-TRE-c317dd82-14
0.351
MAR-TRE-4f781e27-41
0.348
MAR-TRE-92684b97-13
0.347
MAR-TRE-be9ff7d2-69
0.347
MAR-TRE-e82e6c98-96
0.346
MAR-TRE-be9ff7d2-19
0.342
MAR-TRE-66ac689e-30
0.342
MAR-TRE-92684b97-7
0.342
VIJ-CYC-1a381570-8
0.342
MAR-TRE-c317dd82-69
0.342
MAR-TRE-92684b97-33
0.342
MAR-TRE-9d18ae8c-96
0.338
MAR-TRE-8190bb11-24
0.338
MAR-TRE-92684b97-40
0.338
MAR-TRE-9d18ae8c-90
0.338
MAR-TRE-9d18ae8c-98
0.338
MAR-TRE-be9ff7d2-53
0.338
MAR-TRE-c317dd82-34
0.333
MAR-TRE-be9ff7d2-62
0.333
MAR-TRE-4f781e27-89
0.333
MAR-TRE-9d18ae8c-76
0.333
MAR-TRE-c317dd82-73
0.333
MAR-TRE-e82e6c98-56
0.333
MAR-TRE-8190bb11-5
0.333
MAR-TRE-4f781e27-18
0.329
MAR-TRE-a9136c7b-96
0.329
MAR-TRE-e82e6c98-28
0.329
MAR-TRE-c317dd82-18
0.329
MAR-TRE-c317dd82-87
0.329
MAR-TRE-be9ff7d2-72
0.329
MAR-TRE-4f781e27-64
0.329
MAR-TRE-e82e6c98-47
0.329
MAR-TRE-66ac689e-16
0.324
MAR-TRE-e82e6c98-74
0.324
MAR-TRE-66ac689e-14
0.324
MAR-TRE-be9ff7d2-74
0.324
MAR-TRE-799db12b-51
0.321
MAR-TRE-c317dd82-5
0.321
MAR-TRE-9d18ae8c-38
0.321
MAR-TRE-be9ff7d2-54
0.321
MAR-TRE-92684b97-28
0.321
MAR-TRE-be9ff7d2-22
0.320
MAR-TRE-be9ff7d2-45
0.320
MAR-TRE-8190bb11-41
0.320
MAR-TRE-4f781e27-90
0.320
MAR-TRE-c317dd82-99
0.320
MAR-TRE-c317dd82-1
0.320
MAR-TRE-8190bb11-57
0.319
MAR-TRE-4f781e27-25
0.319
MAR-TRE-799db12b-35
0.319
MAR-TRE-8190bb11-47
0.319
MAR-TRE-e82e6c98-86
0.317
MAR-TRE-a9136c7b-86
0.317
MAR-TRE-e82e6c98-59
0.316
MAR-TRE-4f781e27-79
0.316
MAR-TRE-e82e6c98-44
0.316
MAR-TRE-799db12b-73
0.316
MAR-TRE-66ac689e-73
0.316
MAR-TRE-9d18ae8c-57
0.316
MAR-TRE-c317dd82-77
0.316
MAR-TRE-e82e6c98-34
0.316
MAR-TRE-e82e6c98-45
0.315
MAR-TRE-a9136c7b-92
0.315
MAR-TRE-a9136c7b-43
0.315
MAR-TRE-8190bb11-53
0.315
MAR-TRE-799db12b-92
0.313
MAR-TRE-be9ff7d2-75
0.313
MAR-TRE-799db12b-83
0.312
MAR-TRE-8190bb11-19
0.312
MAR-TRE-92684b97-43
0.312
MAR-TRE-a9136c7b-47
0.312
MAR-TRE-e82e6c98-53
0.312