Molecular Properties | |
SMILES: | CC(NC(=O)c1cncnc1)(C(=O)O)c1ccc(S(C)(=O)=O)cc1 |
MW: | 349.07 |
Fraction sp3: | 0.2 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 126.32 |
cLogP: | 0.61 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-4f781e27-78
0.696
MAR-TRE-66ac689e-75
0.696
MAR-TRE-66ac689e-23
0.661
MAR-TRE-be9ff7d2-65
0.548
MAR-TRE-8190bb11-36
0.530
MAR-TRE-4f781e27-74
0.530
MAR-TRE-8190bb11-24
0.508
MAR-TRE-66ac689e-70
0.485
MAR-TRE-4f781e27-32
0.485
MAR-TRE-8190bb11-62
0.485
MAR-TRE-66ac689e-86
0.485
MAR-TRE-799db12b-41
0.478
MAR-TRE-c317dd82-76
0.457
MAR-TRE-8190bb11-22
0.457
MAR-TRE-8190bb11-5
0.455
MAR-TRE-8190bb11-92
0.444
MAR-TRE-a9136c7b-81
0.437
MAR-TRE-8190bb11-47
0.435
MAR-TRE-92684b97-26
0.414
MAR-TRE-8190bb11-74
0.411
MAR-TRE-92684b97-13
0.403
MAR-TRE-799db12b-66
0.397
MAR-TRE-66ac689e-5
0.395
MAR-TRE-e82e6c98-9
0.389
MAR-TRE-8190bb11-13
0.386
MAR-TRE-92684b97-11
0.384
MAR-TRE-66ac689e-13
0.384
MAR-TRE-be9ff7d2-28
0.382
MAR-TRE-e82e6c98-74
0.380
MAR-TRE-e82e6c98-11
0.378
MAR-TRE-66ac689e-16
0.378
MAR-TRE-8190bb11-85
0.377
MAR-TRE-92684b97-40
0.375
MAR-TRE-8190bb11-50
0.370
MAR-TRE-e82e6c98-89
0.370
MAR-TRE-8190bb11-58
0.368
MAR-TRE-66ac689e-15
0.365
MAR-TRE-66ac689e-12
0.360
MAR-TRE-8190bb11-57
0.356
MAR-TRE-8190bb11-32
0.356
MAR-TRE-9d18ae8c-21
0.356
MAR-TRE-e82e6c98-39
0.356
MAR-TRE-4f781e27-87
0.356
MAR-TRE-be9ff7d2-56
0.353
MAR-TRE-e82e6c98-15
0.352
MAR-TRE-4f781e27-17
0.351
MAR-TRE-8190bb11-53
0.351
MAR-TRE-66ac689e-73
0.351
MAR-TRE-799db12b-75
0.350
MAR-TRE-be9ff7d2-13
0.347
MAR-TRE-4f781e27-37
0.346
MAR-TRE-799db12b-90
0.346
MAR-TRE-9d18ae8c-3
0.345
MAR-TRE-92684b97-60
0.342
MAR-TRE-be9ff7d2-17
0.342
MAR-TRE-a9136c7b-61
0.342
MAR-TRE-e82e6c98-63
0.338
MAR-TRE-92684b97-59
0.338
MAR-TRE-9d18ae8c-85
0.338
MAR-TRE-4f781e27-25
0.338
MAR-TRE-799db12b-35
0.338
MAR-TRE-4f781e27-99
0.338
MAR-TRE-9d18ae8c-73
0.338
MAR-TRE-a9136c7b-20
0.338
MAR-TRE-be9ff7d2-58
0.338
MAR-TRE-92684b97-48
0.333
MAR-TRE-66ac689e-3
0.333
MAR-TRE-9d18ae8c-63
0.333
MAR-TRE-799db12b-5
0.333
MAR-TRE-66ac689e-32
0.333
MAR-TRE-9d18ae8c-4
0.333
MAR-TRE-c317dd82-82
0.333
MAR-TRE-799db12b-70
0.329
MAR-TRE-8190bb11-55
0.329
MAR-TRE-8190bb11-37
0.329
MAR-TRE-4f781e27-46
0.329
MAR-TRE-9d18ae8c-1
0.325
MAR-TRE-4f781e27-80
0.325
MAR-TRE-9d18ae8c-56
0.325
MAR-TRE-9d18ae8c-75
0.325
MAR-TRE-92684b97-83
0.325
MAR-TRE-a9136c7b-54
0.325
MAR-TRE-9d18ae8c-25
0.325
MAR-TRE-92684b97-34
0.325
MAR-TRE-9d18ae8c-40
0.325
MAR-TRE-be9ff7d2-63
0.324
MAR-TRE-4f781e27-72
0.324
MAR-TRE-c317dd82-88
0.324
MAR-TRE-92684b97-1
0.321
MAR-TRE-a9136c7b-45
0.321
MAR-TRE-4f781e27-15
0.321
MAR-TRE-8190bb11-29
0.320
MAR-TRE-4f781e27-62
0.320
MAR-TRE-8190bb11-4
0.317
MAR-TRE-9d18ae8c-47
0.316
MAR-TRE-799db12b-53
0.316
MAR-TRE-799db12b-73
0.316
MAR-TRE-66ac689e-6
0.316
MAR-TRE-c317dd82-73
0.316
MAR-TRE-8190bb11-60
0.316