Molecular Properties | |
SMILES: | O=C(NC(C(=O)O)C(O)Cc1ccccc1)c1cncnc1 |
MW: | 301.11 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 112.41 |
cLogP: | 0.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-8190bb11-48
0.456
MAR-TRE-9d18ae8c-50
0.434
MAR-TRE-92684b97-50
0.420
MAR-TRE-8190bb11-91
0.412
MAR-TRE-8190bb11-11
0.408
MAR-TRE-4f781e27-56
0.408
MAR-TRE-4f781e27-24
0.403
MAR-TRE-9d18ae8c-8
0.400
MAR-TRE-92684b97-27
0.400
MAR-TRE-92684b97-5
0.397
MAR-TRE-9d18ae8c-67
0.397
MAR-TRE-9d18ae8c-24
0.395
MAR-TRE-4f781e27-39
0.394
MAR-TRE-8190bb11-59
0.394
MAR-TRE-4f781e27-93
0.392
MAR-TRE-799db12b-95
0.391
MAR-TRE-4f781e27-4
0.390
MAR-TRE-8190bb11-6
0.390
MAR-TRE-92684b97-41
0.389
MAR-TRE-9d18ae8c-64
0.389
MAR-TRE-92684b97-98
0.388
MAR-TRE-8190bb11-56
0.387
MAR-TRE-66ac689e-81
0.387
MAR-TRE-e82e6c98-30
0.386
MAR-TRE-9d18ae8c-81
0.385
MAR-TRE-4f781e27-29
0.384
MAR-TRE-8190bb11-97
0.384
MAR-TRE-e82e6c98-20
0.384
MAR-TRE-4f781e27-44
0.382
MAR-TRE-8190bb11-71
0.380
MAR-TRE-8190bb11-35
0.378
MAR-TRE-4f781e27-51
0.377
MAR-TRE-92684b97-17
0.375
MAR-TRE-8190bb11-21
0.375
MAR-TRE-8190bb11-28
0.375
MAR-TRE-8190bb11-93
0.375
MAR-TRE-92684b97-35
0.375
MAR-TRE-9d18ae8c-28
0.373
MAR-TRE-92684b97-86
0.373
MAR-TRE-9d18ae8c-97
0.373
MAR-TRE-66ac689e-92
0.372
MAR-TRE-e82e6c98-70
0.371
MAR-TRE-a9136c7b-66
0.370
MAR-TRE-be9ff7d2-84
0.368
MAR-TRE-92684b97-85
0.368
MAR-TRE-c317dd82-41
0.368
MAR-TRE-8190bb11-26
0.367
MAR-TRE-66ac689e-34
0.367
MAR-TRE-9d18ae8c-59
0.366
MAR-TRE-66ac689e-62
0.366
MAR-TRE-4f781e27-91
0.365
MAR-TRE-92684b97-75
0.365
MAR-TRE-799db12b-23
0.365
MAR-TRE-66ac689e-41
0.365
MAR-TRE-9d18ae8c-47
0.364
MAR-TRE-9d18ae8c-99
0.364
MAR-TRE-66ac689e-48
0.364
MAR-TRE-66ac689e-83
0.364
MAR-TRE-be9ff7d2-86
0.364
MAR-TRE-66ac689e-87
0.362
MAR-TRE-8190bb11-70
0.362
MAR-TRE-92684b97-97
0.361
MAR-TRE-92684b97-56
0.361
MAR-TRE-799db12b-91
0.361
MAR-TRE-8190bb11-98
0.360
MAR-TRE-e82e6c98-100
0.360
MAR-TRE-4f781e27-86
0.360
MAR-TRE-92684b97-72
0.360
MAR-TRE-92684b97-47
0.359
MAR-TRE-8190bb11-25
0.359
MAR-TRE-66ac689e-43
0.359
MAR-TRE-8190bb11-17
0.358
MAR-TRE-9d18ae8c-51
0.358
MAR-TRE-8190bb11-90
0.358
MAR-TRE-be9ff7d2-47
0.357
MAR-TRE-92684b97-8
0.357
MAR-TRE-4f781e27-73
0.356
MAR-TRE-66ac689e-49
0.356
MAR-TRE-66ac689e-79
0.355
MAR-TRE-66ac689e-93
0.355
MAR-TRE-92684b97-91
0.354
MAR-TRE-9d18ae8c-9
0.354
MAR-TRE-4f781e27-49
0.352
MAR-TRE-8190bb11-47
0.351
MAR-TRE-9d18ae8c-87
0.351
MAR-TRE-4f781e27-84
0.351
MAR-TRE-92684b97-80
0.351
MAR-TRE-92684b97-99
0.351
MAR-TRE-9d18ae8c-21
0.351
MAR-TRE-be9ff7d2-68
0.351
MAR-TRE-799db12b-32
0.351
MAR-TRE-8190bb11-10
0.351
MAR-TRE-92684b97-15
0.351
MAR-TRE-799db12b-79
0.351
MAR-TRE-66ac689e-68
0.351
MAR-TRE-66ac689e-7
0.350
MAR-TRE-85681e92-59
0.350
MAR-TRE-8190bb11-14
0.350
MAR-TRE-9d18ae8c-94
0.350
MAR-TRE-66ac689e-61
0.350