Molecular Properties | |
SMILES: | Cc1sc(CNC(=O)c2cncnc2)nc1C(=O)O |
MW: | 278.05 |
Fraction sp3: | 0.18 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 105.07 |
cLogP: | 0.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-92684b97-74
0.524
MAR-TRE-e82e6c98-23
0.492
MAR-TRE-be9ff7d2-1
0.485
MAR-TRE-e82e6c98-75
0.456
MAR-TRE-8190bb11-40
0.451
MAR-TRE-e82e6c98-29
0.443
MAR-TRE-be9ff7d2-34
0.423
MAR-TRE-92684b97-78
0.422
MAR-TRE-be9ff7d2-67
0.413
MAR-TRE-8190bb11-42
0.412
MAR-TRE-be9ff7d2-11
0.412
MAR-TRE-8190bb11-24
0.409
MAR-TRE-8190bb11-85
0.409
MAR-TRE-a9136c7b-54
0.408
MAR-TRE-9d18ae8c-89
0.406
MAR-TRE-799db12b-35
0.406
MAR-TRE-8190bb11-31
0.397
MAR-TRE-8190bb11-13
0.397
MAR-TRE-92684b97-64
0.395
MAR-TRE-92684b97-11
0.394
MAR-TRE-a9136c7b-24
0.392
MAR-TRE-e82e6c98-60
0.392
MAR-TRE-e82e6c98-57
0.391
MAR-TRE-4f781e27-72
0.391
MAR-TRE-be9ff7d2-98
0.389
MAR-TRE-e82e6c98-16
0.389
MAR-TRE-be9ff7d2-17
0.389
MAR-TRE-66ac689e-53
0.388
MAR-TRE-4f781e27-99
0.386
MAR-TRE-a9136c7b-17
0.385
MAR-TRE-8190bb11-82
0.384
MAR-TRE-e82e6c98-12
0.384
MAR-TRE-be9ff7d2-92
0.382
MAR-TRE-be9ff7d2-90
0.377
MAR-TRE-be9ff7d2-82
0.377
MAR-TRE-a9136c7b-100
0.377
MAR-TRE-c317dd82-55
0.375
MAR-TRE-799db12b-44
0.373
MAR-TRE-8190bb11-80
0.372
MAR-TRE-c317dd82-74
0.372
MAR-TRE-4f781e27-83
0.372
MAR-TRE-4f781e27-28
0.370
MAR-TRE-e82e6c98-11
0.370
MAR-TRE-66ac689e-12
0.370
MAR-TRE-8190bb11-73
0.368
MAR-TRE-e82e6c98-93
0.368
MAR-TRE-8190bb11-88
0.368
MAR-TRE-9d18ae8c-6
0.368
MAR-TRE-4f781e27-49
0.368
MAR-TRE-be9ff7d2-99
0.367
MAR-TRE-8190bb11-81
0.365
MAR-TRE-92684b97-54
0.365
MAR-TRE-66ac689e-26
0.365
MAR-TRE-9d18ae8c-74
0.365
MAR-TRE-e82e6c98-64
0.364
MAR-TRE-e82e6c98-5
0.364
MAR-TRE-4f781e27-65
0.364
MAR-TRE-92684b97-96
0.364
MAR-TRE-66ac689e-59
0.361
MAR-TRE-8190bb11-50
0.361
MAR-TRE-66ac689e-73
0.360
MAR-TRE-66ac689e-37
0.360
MAR-TRE-be9ff7d2-60
0.359
MAR-TRE-66ac689e-54
0.358
MAR-TRE-92684b97-52
0.357
MAR-TRE-799db12b-84
0.356
MAR-TRE-4f781e27-92
0.355
MAR-TRE-92684b97-81
0.355
MAR-TRE-9d18ae8c-53
0.355
MAR-TRE-66ac689e-20
0.355
MAR-TRE-e82e6c98-91
0.355
MAR-TRE-4f781e27-48
0.354
MAR-TRE-a9136c7b-30
0.354
MAR-TRE-c317dd82-11
0.354
MAR-TRE-e82e6c98-26
0.352
MAR-TRE-e82e6c98-8
0.351
MAR-TRE-799db12b-27
0.351
MAR-TRE-799db12b-89
0.351
MAR-TRE-66ac689e-21
0.351
MAR-TRE-799db12b-16
0.351
MAR-TRE-92684b97-82
0.351
MAR-TRE-4f781e27-50
0.347
MAR-TRE-be9ff7d2-40
0.347
MAR-TRE-c317dd82-81
0.346
MAR-TRE-be9ff7d2-81
0.346
MAR-TRE-799db12b-52
0.346
MAR-TRE-66ac689e-29
0.346
MAR-TRE-9d18ae8c-81
0.346
MAR-TRE-9d18ae8c-11
0.346
MAR-TRE-9d18ae8c-43
0.346
MAR-TRE-799db12b-11
0.346
MAR-TRE-799db12b-69
0.346
MAR-TRE-8190bb11-8
0.346
MAR-TRE-c317dd82-67
0.345
MAR-TRE-e82e6c98-27
0.343
MAR-TRE-92684b97-48
0.342
MAR-TRE-e82e6c98-35
0.342
MAR-TRE-92684b97-44
0.342
MAR-TRE-be9ff7d2-18
0.342
MAR-TRE-4f781e27-100
0.342