Molecular Properties | |
SMILES: | Cc1cccc(C(CC(=O)O)NC(=O)c2cncnc2)c1C |
MW: | 299.13 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 92.18 |
cLogP: | 2.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-9d18ae8c-64
0.609
MAR-TRE-92684b97-86
0.582
MAR-TRE-92684b97-56
0.530
MAR-TRE-66ac689e-41
0.507
MAR-TRE-66ac689e-97
0.493
MAR-TRE-9d18ae8c-59
0.493
MAR-TRE-92684b97-85
0.486
MAR-TRE-e82e6c98-70
0.478
MAR-TRE-9d18ae8c-21
0.471
MAR-TRE-66ac689e-18
0.465
MAR-TRE-92684b97-68
0.462
MAR-TRE-a9136c7b-49
0.453
MAR-TRE-8190bb11-11
0.451
MAR-TRE-a9136c7b-58
0.449
MAR-TRE-a9136c7b-46
0.442
MAR-TRE-92684b97-71
0.438
MAR-TRE-66ac689e-92
0.429
MAR-TRE-799db12b-23
0.425
MAR-TRE-4f781e27-91
0.425
MAR-TRE-4f781e27-71
0.423
MAR-TRE-799db12b-50
0.421
MAR-TRE-9d18ae8c-50
0.418
MAR-TRE-9d18ae8c-24
0.415
MAR-TRE-9d18ae8c-48
0.413
MAR-TRE-a9136c7b-71
0.412
MAR-TRE-8190bb11-47
0.411
MAR-TRE-4f781e27-56
0.410
MAR-TRE-e82e6c98-30
0.408
MAR-TRE-e82e6c98-13
0.408
MAR-TRE-66ac689e-68
0.408
MAR-TRE-9d18ae8c-94
0.405
MAR-TRE-a9136c7b-55
0.403
MAR-TRE-be9ff7d2-47
0.400
MAR-TRE-e82e6c98-46
0.400
MAR-TRE-e82e6c98-100
0.400
MAR-TRE-66ac689e-95
0.400
MAR-TRE-9d18ae8c-19
0.398
MAR-TRE-66ac689e-57
0.397
MAR-TRE-8190bb11-93
0.395
MAR-TRE-66ac689e-80
0.395
MAR-TRE-c317dd82-94
0.395
MAR-TRE-a9136c7b-33
0.395
MAR-TRE-799db12b-46
0.395
MAR-TRE-9d18ae8c-40
0.395
MAR-TRE-8190bb11-91
0.394
MAR-TRE-92684b97-8
0.393
MAR-TRE-9d18ae8c-3
0.393
MAR-TRE-4f781e27-4
0.392
MAR-TRE-92684b97-80
0.392
MAR-TRE-92684b97-2
0.390
MAR-TRE-66ac689e-62
0.389
MAR-TRE-4f781e27-24
0.387
MAR-TRE-4f781e27-44
0.385
MAR-TRE-9d18ae8c-8
0.385
MAR-TRE-66ac689e-84
0.385
MAR-TRE-9d18ae8c-37
0.385
MAR-TRE-92684b97-27
0.384
MAR-TRE-92684b97-50
0.384
MAR-TRE-92684b97-87
0.384
MAR-TRE-8190bb11-71
0.384
MAR-TRE-be9ff7d2-48
0.384
MAR-TRE-8190bb11-70
0.383
MAR-TRE-9d18ae8c-4
0.383
MAR-TRE-9d18ae8c-17
0.383
MAR-TRE-4f781e27-40
0.382
MAR-TRE-799db12b-47
0.382
MAR-TRE-4f781e27-86
0.382
MAR-TRE-92684b97-97
0.381
MAR-TRE-799db12b-80
0.380
MAR-TRE-4f781e27-73
0.378
MAR-TRE-8190bb11-28
0.378
MAR-TRE-8190bb11-59
0.378
MAR-TRE-92684b97-17
0.378
MAR-TRE-66ac689e-49
0.378
MAR-TRE-92684b97-35
0.378
MAR-TRE-8190bb11-90
0.378
MAR-TRE-9d18ae8c-22
0.378
MAR-TRE-66ac689e-79
0.377
MAR-TRE-799db12b-94
0.377
MAR-TRE-66ac689e-93
0.377
MAR-TRE-9d18ae8c-80
0.375
MAR-TRE-799db12b-95
0.375
MAR-TRE-8190bb11-6
0.375
MAR-TRE-92684b97-51
0.373
MAR-TRE-8190bb11-10
0.372
MAR-TRE-c317dd82-21
0.371
MAR-TRE-a9136c7b-59
0.370
MAR-TRE-8190bb11-5
0.370
MAR-TRE-92684b97-93
0.369
MAR-TRE-8190bb11-97
0.368
MAR-TRE-4f781e27-29
0.368
MAR-TRE-92684b97-77
0.368
MAR-TRE-be9ff7d2-86
0.367
MAR-TRE-9d18ae8c-99
0.367
MAR-TRE-66ac689e-87
0.366
MAR-TRE-799db12b-15
0.362
MAR-TRE-9d18ae8c-41
0.362
MAR-TRE-be9ff7d2-64
0.362
MAR-TRE-be9ff7d2-97
0.362
MAR-TRE-9d18ae8c-51
0.361