Molecular Properties | |
SMILES: | Cc1cccc2c(CC(NC(=O)c3cncnc3)C(=O)O)coc12 |
MW: | 325.11 |
Fraction sp3: | 0.18 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 105.32 |
cLogP: | 1.96 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-92684b97-5
0.618
MAR-TRE-92684b97-97
0.568
MAR-TRE-e82e6c98-100
0.487
MAR-TRE-4f781e27-27
0.482
MAR-TRE-4f781e27-94
0.455
MAR-TRE-66ac689e-48
0.451
MAR-TRE-4f781e27-56
0.440
MAR-TRE-e82e6c98-20
0.438
MAR-TRE-4f781e27-24
0.438
MAR-TRE-be9ff7d2-61
0.434
MAR-TRE-be9ff7d2-9
0.427
MAR-TRE-be9ff7d2-10
0.427
MAR-TRE-be9ff7d2-21
0.414
MAR-TRE-66ac689e-87
0.414
MAR-TRE-4f781e27-93
0.409
MAR-TRE-8190bb11-17
0.409
MAR-TRE-92684b97-41
0.407
MAR-TRE-9d18ae8c-64
0.407
MAR-TRE-66ac689e-81
0.405
MAR-TRE-be9ff7d2-84
0.405
MAR-TRE-66ac689e-77
0.398
MAR-TRE-4f781e27-39
0.395
MAR-TRE-8190bb11-48
0.395
MAR-TRE-9d18ae8c-97
0.393
MAR-TRE-92684b97-98
0.389
MAR-TRE-4f781e27-69
0.380
MAR-TRE-8190bb11-23
0.380
MAR-TRE-66ac689e-19
0.380
MAR-TRE-4f781e27-6
0.376
MAR-TRE-a9136c7b-22
0.375
MAR-TRE-c317dd82-95
0.370
MAR-TRE-be9ff7d2-93
0.368
MAR-TRE-8190bb11-98
0.365
MAR-TRE-799db12b-95
0.358
MAR-TRE-92684b97-51
0.357
MAR-TRE-92684b97-80
0.357
MAR-TRE-799db12b-12
0.354
MAR-TRE-4f781e27-26
0.354
MAR-TRE-e82e6c98-71
0.353
MAR-TRE-e82e6c98-34
0.352
MAR-TRE-e82e6c98-79
0.352
MAR-TRE-66ac689e-84
0.352
MAR-TRE-9d18ae8c-8
0.352
MAR-TRE-8190bb11-70
0.352
MAR-TRE-8190bb11-35
0.351
MAR-TRE-8190bb11-71
0.349
MAR-TRE-be9ff7d2-16
0.349
MAR-TRE-4f781e27-51
0.348
MAR-TRE-4f781e27-5
0.347
MAR-TRE-be9ff7d2-47
0.346
MAR-TRE-8190bb11-28
0.345
MAR-TRE-92684b97-86
0.345
MAR-TRE-66ac689e-93
0.345
MAR-TRE-8190bb11-91
0.341
MAR-TRE-8190bb11-11
0.341
MAR-TRE-8190bb11-10
0.341
MAR-TRE-9d18ae8c-59
0.337
MAR-TRE-e82e6c98-30
0.337
MAR-TRE-66ac689e-41
0.337
MAR-TRE-92684b97-77
0.337
MAR-TRE-799db12b-23
0.337
MAR-TRE-9d18ae8c-17
0.337
MAR-TRE-c317dd82-38
0.337
MAR-TRE-66ac689e-97
0.333
MAR-TRE-92684b97-56
0.333
MAR-TRE-4f781e27-20
0.333
MAR-TRE-92684b97-68
0.330
MAR-TRE-9d18ae8c-1
0.330
MAR-TRE-799db12b-31
0.330
MAR-TRE-9d18ae8c-80
0.330
MAR-TRE-9d18ae8c-48
0.330
MAR-TRE-92684b97-17
0.329
MAR-TRE-92684b97-35
0.329
MAR-TRE-e82e6c98-72
0.329
MAR-TRE-8190bb11-59
0.329
MAR-TRE-9d18ae8c-94
0.326
MAR-TRE-66ac689e-68
0.326
MAR-TRE-be9ff7d2-68
0.326
MAR-TRE-92684b97-85
0.326
MAR-TRE-9d18ae8c-87
0.326
MAR-TRE-9d18ae8c-19
0.323
MAR-TRE-9d18ae8c-4
0.323
MAR-TRE-9d18ae8c-99
0.322
MAR-TRE-9d18ae8c-37
0.322
MAR-TRE-799db12b-61
0.322
MAR-TRE-799db12b-96
0.322
MAR-TRE-8190bb11-97
0.322
MAR-TRE-c317dd82-21
0.321
MAR-TRE-c317dd82-41
0.321
MAR-TRE-a9136c7b-10
0.320
MAR-TRE-9d18ae8c-22
0.319
MAR-TRE-be9ff7d2-97
0.319
MAR-TRE-799db12b-15
0.319
MAR-TRE-e82e6c98-91
0.319
MAR-TRE-66ac689e-94
0.319
MAR-TRE-9d18ae8c-41
0.319
MAR-TRE-8190bb11-25
0.319
MAR-TRE-a9136c7b-36
0.318
MAR-TRE-9d18ae8c-67
0.318
MAR-TRE-92684b97-27
0.318