Molecular Properties | |
SMILES: | CC(NS(=O)(=O)c1ccc(C(=O)NC(=O)c2cncnc2)cc1)C(=O)O |
MW: | 378.06 |
Fraction sp3: | 0.13 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 155.42 |
cLogP: | -0.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
phthalimide
Hetero_hetero
MAR-TRE-66ac689e-38
0.431
MAR-TRE-e82e6c98-72
0.423
MAR-TRE-66ac689e-9
0.380
MAR-TRE-8190bb11-5
0.375
MAR-TRE-92684b97-66
0.370
MAR-TRE-799db12b-56
0.366
MAR-TRE-8190bb11-52
0.366
MAR-TRE-66ac689e-14
0.365
MAR-TRE-9d18ae8c-25
0.364
MAR-TRE-c317dd82-19
0.362
MAR-TRE-8190bb11-47
0.360
MAR-TRE-4f781e27-87
0.360
MAR-TRE-c317dd82-21
0.357
MAR-TRE-e82e6c98-19
0.355
MAR-TRE-66ac689e-3
0.355
MAR-TRE-66ac689e-22
0.354
MAR-TRE-c317dd82-48
0.352
MAR-TRE-92684b97-13
0.351
MAR-TRE-c317dd82-39
0.350
MAR-TRE-be9ff7d2-74
0.347
MAR-TRE-66ac689e-16
0.346
MAR-TRE-a9136c7b-61
0.346
MAR-TRE-8190bb11-24
0.342
MAR-TRE-4f781e27-62
0.342
MAR-TRE-4f781e27-25
0.342
MAR-TRE-92684b97-40
0.342
MAR-TRE-92684b97-59
0.342
MAR-TRE-8190bb11-32
0.342
MAR-TRE-8190bb11-49
0.342
MAR-TRE-9d18ae8c-5
0.341
MAR-TRE-e82e6c98-30
0.338
MAR-TRE-be9ff7d2-23
0.338
MAR-TRE-66ac689e-32
0.338
MAR-TRE-9d18ae8c-63
0.338
MAR-TRE-92684b97-48
0.338
MAR-TRE-66ac689e-27
0.338
MAR-TRE-799db12b-5
0.338
MAR-TRE-66ac689e-13
0.333
MAR-TRE-8190bb11-37
0.333
MAR-TRE-8190bb11-13
0.333
MAR-TRE-92684b97-25
0.329
MAR-TRE-66ac689e-39
0.329
MAR-TRE-be9ff7d2-31
0.329
MAR-TRE-4f781e27-72
0.329
MAR-TRE-92684b97-60
0.329
MAR-TRE-be9ff7d2-47
0.329
MAR-TRE-85681e92-92
0.328
MAR-TRE-c317dd82-78
0.326
MAR-TRE-4f781e27-54
0.325
MAR-TRE-c317dd82-1
0.325
MAR-TRE-4f781e27-15
0.325
MAR-TRE-8190bb11-29
0.325
MAR-TRE-a9136c7b-20
0.325
MAR-TRE-8190bb11-57
0.325
MAR-TRE-e82e6c98-63
0.324
MAR-TRE-799db12b-95
0.324
MAR-TRE-c317dd82-2
0.322
MAR-TRE-8190bb11-94
0.321
MAR-TRE-8190bb11-43
0.321
MAR-TRE-9d18ae8c-47
0.321
MAR-TRE-799db12b-53
0.321
MAR-TRE-66ac689e-6
0.321
MAR-TRE-8190bb11-1
0.321
MAR-TRE-8190bb11-53
0.321
MAR-TRE-8190bb11-60
0.321
MAR-TRE-8190bb11-50
0.321
MAR-TRE-e82e6c98-45
0.321
MAR-TRE-a9136c7b-56
0.321
MAR-TRE-4f781e27-17
0.321
MAR-TRE-9d18ae8c-59
0.320
MAR-TRE-799db12b-6
0.318
MAR-TRE-c317dd82-66
0.318
MAR-TRE-92684b97-65
0.317
MAR-TRE-8190bb11-55
0.316
MAR-TRE-8190bb11-98
0.316
MAR-TRE-92684b97-11
0.316
MAR-TRE-c317dd82-96
0.316
MAR-TRE-4f781e27-46
0.316
MAR-TRE-e82e6c98-7
0.316
MAR-TRE-a9136c7b-41
0.313
MAR-TRE-92684b97-29
0.313
MAR-TRE-92684b97-69
0.312
MAR-TRE-8190bb11-59
0.312
MAR-TRE-be9ff7d2-63
0.312
MAR-TRE-4f781e27-95
0.312
MAR-TRE-92684b97-35
0.312
MAR-TRE-e82e6c98-74
0.312
MAR-TRE-a9136c7b-88
0.310
MAR-TRE-9d18ae8c-100
0.309
MAR-TRE-be9ff7d2-84
0.309
MAR-TRE-be9ff7d2-6
0.309
MAR-TRE-4f781e27-90
0.309
MAR-TRE-799db12b-32
0.309
MAR-TRE-be9ff7d2-45
0.309
MAR-TRE-8190bb11-11
0.308
MAR-TRE-9d18ae8c-21
0.308
MAR-TRE-9d18ae8c-85
0.308
MAR-TRE-a9136c7b-40
0.308
MAR-TRE-4f781e27-50
0.308
MAR-TRE-92684b97-80
0.308