Molecular Properties | |
SMILES: | CS(=O)(=O)c1ccc(C2(NC(=O)c3cncnc3)CCOC2)cc1 |
MW: | 347.09 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 98.25 |
cLogP: | 0.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-92684b97-19
0.697
MAR-TRE-4f781e27-33
0.688
MAR-TRE-e82e6c98-83
0.500
MAR-TRE-be9ff7d2-76
0.493
MAR-TRE-799db12b-54
0.449
MAR-TRE-e82e6c98-66
0.442
MAR-TRE-8190bb11-20
0.430
MAR-TRE-c317dd82-62
0.425
MAR-TRE-be9ff7d2-79
0.425
MAR-TRE-be9ff7d2-66
0.423
MAR-TRE-4f781e27-21
0.419
MAR-TRE-a9136c7b-27
0.417
MAR-TRE-8190bb11-24
0.411
MAR-TRE-e82e6c98-55
0.408
MAR-TRE-8190bb11-5
0.405
MAR-TRE-92684b97-95
0.397
MAR-TRE-66ac689e-14
0.395
MAR-TRE-8190bb11-47
0.390
MAR-TRE-a9136c7b-97
0.386
MAR-TRE-be9ff7d2-2
0.384
MAR-TRE-e82e6c98-1
0.375
MAR-TRE-8190bb11-100
0.372
MAR-TRE-c317dd82-40
0.366
MAR-TRE-4f781e27-67
0.356
MAR-TRE-92684b97-4
0.352
MAR-TRE-66ac689e-13
0.346
MAR-TRE-92684b97-13
0.346
MAR-TRE-66ac689e-55
0.345
MAR-TRE-a9136c7b-65
0.345
MAR-TRE-4f781e27-53
0.344
MAR-TRE-e82e6c98-74
0.342
MAR-TRE-c317dd82-4
0.341
MAR-TRE-9d18ae8c-96
0.338
MAR-TRE-be9ff7d2-54
0.337
MAR-TRE-9d18ae8c-95
0.333
MAR-TRE-c317dd82-73
0.333
MAR-TRE-799db12b-53
0.333
MAR-TRE-9d18ae8c-76
0.333
MAR-TRE-92684b97-23
0.330
MAR-TRE-92684b97-31
0.329
MAR-TRE-9d18ae8c-42
0.329
MAR-TRE-66ac689e-16
0.325
MAR-TRE-c317dd82-53
0.325
MAR-TRE-9d18ae8c-61
0.325
MAR-TRE-799db12b-22
0.322
MAR-TRE-c317dd82-37
0.322
MAR-TRE-4f781e27-99
0.321
MAR-TRE-e82e6c98-41
0.321
MAR-TRE-9d18ae8c-4
0.318
MAR-TRE-c317dd82-86
0.318
MAR-TRE-9d18ae8c-72
0.316
MAR-TRE-be9ff7d2-56
0.316
MAR-TRE-9d18ae8c-3
0.315
MAR-TRE-92684b97-30
0.315
MAR-TRE-c317dd82-25
0.315
MAR-TRE-799db12b-34
0.315
MAR-TRE-92684b97-43
0.315
MAR-TRE-9d18ae8c-27
0.314
MAR-TRE-be9ff7d2-72
0.313
MAR-TRE-92684b97-52
0.312
MAR-TRE-8190bb11-13
0.312
MAR-TRE-c317dd82-68
0.312
MAR-TRE-9d18ae8c-39
0.312
MAR-TRE-9d18ae8c-1
0.311
MAR-TRE-a9136c7b-61
0.310
MAR-TRE-4f781e27-35
0.310
MAR-TRE-66ac689e-12
0.310
MAR-TRE-c317dd82-100
0.310
MAR-TRE-92684b97-60
0.309
MAR-TRE-c317dd82-47
0.309
MAR-TRE-be9ff7d2-91
0.308
MAR-TRE-a9136c7b-88
0.308
MAR-TRE-c317dd82-12
0.308
MAR-TRE-c317dd82-88
0.308
MAR-TRE-92684b97-1
0.308
MAR-TRE-92684b97-57
0.308
MAR-TRE-e82e6c98-99
0.307
MAR-TRE-66ac689e-90
0.307
MAR-TRE-92684b97-73
0.307
MAR-TRE-4f781e27-15
0.306
MAR-TRE-92684b97-59
0.305
MAR-TRE-a9136c7b-64
0.303
MAR-TRE-92684b97-94
0.303
MAR-TRE-e82e6c98-34
0.302
MAR-TRE-799db12b-5
0.302
MAR-TRE-c317dd82-34
0.302
MAR-TRE-66ac689e-6
0.302
MAR-TRE-8190bb11-2
0.302
MAR-TRE-66ac689e-3
0.301
MAR-TRE-66ac689e-38
0.301
MAR-TRE-8190bb11-50
0.301
MAR-TRE-8190bb11-1
0.301
MAR-TRE-8190bb11-39
0.300
MAR-TRE-9d18ae8c-32
0.300
MAR-TRE-799db12b-88
0.299
MAR-TRE-92684b97-76
0.298
MAR-TRE-66ac689e-15
0.298
MAR-TRE-9d18ae8c-33
0.298
MAR-TRE-be9ff7d2-42
0.298
MAR-TRE-92684b97-11
0.298