Molecular Properties | |
SMILES: | Cc1cc(CNC(=O)c2cncnc2)ccc1S(C)(=O)=O |
MW: | 305.08 |
Fraction sp3: | 0.21 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 89.02 |
cLogP: | 1.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-66ac689e-12
0.694
MAR-TRE-8190bb11-24
0.581
MAR-TRE-be9ff7d2-17
0.567
MAR-TRE-8190bb11-85
0.531
MAR-TRE-66ac689e-73
0.529
MAR-TRE-799db12b-35
0.522
MAR-TRE-8190bb11-13
0.515
MAR-TRE-4f781e27-99
0.500
MAR-TRE-8190bb11-50
0.493
MAR-TRE-799db12b-44
0.479
MAR-TRE-92684b97-78
0.477
MAR-TRE-799db12b-16
0.473
MAR-TRE-8190bb11-86
0.473
MAR-TRE-66ac689e-37
0.466
MAR-TRE-8190bb11-8
0.462
MAR-TRE-9d18ae8c-11
0.462
MAR-TRE-4f781e27-92
0.459
MAR-TRE-9d18ae8c-53
0.459
MAR-TRE-8190bb11-80
0.455
MAR-TRE-9d18ae8c-30
0.455
MAR-TRE-9d18ae8c-36
0.455
MAR-TRE-799db12b-27
0.453
MAR-TRE-92684b97-82
0.453
MAR-TRE-9d18ae8c-49
0.450
MAR-TRE-66ac689e-1
0.449
MAR-TRE-4f781e27-88
0.447
MAR-TRE-9d18ae8c-43
0.443
MAR-TRE-8190bb11-31
0.443
MAR-TRE-9d18ae8c-18
0.442
MAR-TRE-9d18ae8c-54
0.442
MAR-TRE-799db12b-2
0.442
MAR-TRE-799db12b-24
0.442
MAR-TRE-799db12b-33
0.442
MAR-TRE-92684b97-81
0.440
MAR-TRE-9d18ae8c-89
0.437
MAR-TRE-9d18ae8c-6
0.434
MAR-TRE-9d18ae8c-65
0.432
MAR-TRE-9d18ae8c-7
0.430
MAR-TRE-799db12b-69
0.425
MAR-TRE-8190bb11-34
0.423
MAR-TRE-9d18ae8c-46
0.423
MAR-TRE-799db12b-3
0.423
MAR-TRE-be9ff7d2-11
0.423
MAR-TRE-799db12b-18
0.422
MAR-TRE-66ac689e-20
0.421
MAR-TRE-66ac689e-54
0.420
MAR-TRE-9d18ae8c-34
0.420
MAR-TRE-799db12b-14
0.420
MAR-TRE-66ac689e-33
0.418
MAR-TRE-4f781e27-2
0.418
MAR-TRE-9d18ae8c-52
0.418
MAR-TRE-66ac689e-21
0.416
MAR-TRE-66ac689e-26
0.413
MAR-TRE-92684b97-33
0.412
MAR-TRE-799db12b-76
0.410
MAR-TRE-9d18ae8c-16
0.410
MAR-TRE-92684b97-44
0.408
MAR-TRE-799db12b-51
0.407
MAR-TRE-799db12b-84
0.405
MAR-TRE-92684b97-13
0.405
MAR-TRE-be9ff7d2-67
0.403
MAR-TRE-8190bb11-42
0.403
MAR-TRE-92684b97-6
0.402
MAR-TRE-799db12b-97
0.402
MAR-TRE-799db12b-9
0.402
MAR-TRE-e82e6c98-25
0.400
MAR-TRE-a9136c7b-31
0.400
MAR-TRE-a9136c7b-54
0.400
MAR-TRE-9d18ae8c-10
0.398
MAR-TRE-e82e6c98-68
0.394
MAR-TRE-a9136c7b-4
0.393
MAR-TRE-799db12b-52
0.392
MAR-TRE-4f781e27-100
0.390
MAR-TRE-be9ff7d2-90
0.389
MAR-TRE-92684b97-64
0.388
MAR-TRE-a9136c7b-100
0.388
MAR-TRE-c317dd82-55
0.387
MAR-TRE-a9136c7b-24
0.385
MAR-TRE-a9136c7b-14
0.385
MAR-TRE-799db12b-4
0.384
MAR-TRE-66ac689e-14
0.384
MAR-TRE-92684b97-74
0.384
MAR-TRE-799db12b-72
0.383
MAR-TRE-4f781e27-83
0.383
MAR-TRE-9d18ae8c-48
0.382
MAR-TRE-92684b97-53
0.380
MAR-TRE-8190bb11-73
0.380
MAR-TRE-92684b97-40
0.378
MAR-TRE-a9136c7b-11
0.375
MAR-TRE-92684b97-48
0.373
MAR-TRE-be9ff7d2-1
0.373
MAR-TRE-be9ff7d2-18
0.372
MAR-TRE-66ac689e-74
0.370
MAR-TRE-e82e6c98-54
0.370
MAR-TRE-66ac689e-13
0.368
MAR-TRE-4f781e27-55
0.367
MAR-TRE-8190bb11-40
0.367
MAR-TRE-9d18ae8c-84
0.367
MAR-TRE-e82e6c98-91
0.367
MAR-TRE-66ac689e-47
0.366