Molecular Properties | |
SMILES: | O=C(NC(C(=O)O)c1ccccc1Cl)c1cncnc1 |
MW: | 291.04 |
Fraction sp3: | 0.08 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 92.18 |
cLogP: | 1.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-799db12b-23
0.672
MAR-TRE-a9136c7b-66
0.655
MAR-TRE-92684b97-50
0.649
MAR-TRE-92684b97-27
0.649
MAR-TRE-799db12b-95
0.614
MAR-TRE-9d18ae8c-64
0.574
MAR-TRE-a9136c7b-36
0.556
MAR-TRE-9d18ae8c-8
0.554
MAR-TRE-8190bb11-59
0.532
MAR-TRE-be9ff7d2-86
0.530
MAR-TRE-92684b97-80
0.524
MAR-TRE-8190bb11-25
0.522
MAR-TRE-8190bb11-54
0.516
MAR-TRE-799db12b-96
0.516
MAR-TRE-799db12b-61
0.516
MAR-TRE-9d18ae8c-28
0.500
MAR-TRE-e82e6c98-30
0.500
MAR-TRE-8190bb11-71
0.492
MAR-TRE-4f781e27-86
0.485
MAR-TRE-4f781e27-40
0.485
MAR-TRE-92684b97-17
0.484
MAR-TRE-92684b97-35
0.484
MAR-TRE-8190bb11-28
0.484
MAR-TRE-c317dd82-41
0.483
MAR-TRE-66ac689e-93
0.478
MAR-TRE-4f781e27-9
0.473
MAR-TRE-a9136c7b-91
0.471
MAR-TRE-9d18ae8c-99
0.464
MAR-TRE-8190bb11-10
0.449
MAR-TRE-799db12b-91
0.446
MAR-TRE-92684b97-99
0.433
MAR-TRE-799db12b-79
0.429
MAR-TRE-9d18ae8c-88
0.426
MAR-TRE-4f781e27-91
0.426
MAR-TRE-e82e6c98-20
0.426
MAR-TRE-92684b97-32
0.421
MAR-TRE-9d18ae8c-67
0.420
MAR-TRE-9d18ae8c-17
0.419
MAR-TRE-8190bb11-48
0.418
MAR-TRE-8190bb11-62
0.418
MAR-TRE-a9136c7b-70
0.417
MAR-TRE-92684b97-51
0.412
MAR-TRE-9d18ae8c-59
0.409
MAR-TRE-a9136c7b-48
0.406
MAR-TRE-9d18ae8c-60
0.405
MAR-TRE-66ac689e-61
0.405
MAR-TRE-8190bb11-14
0.405
MAR-TRE-8190bb11-26
0.405
MAR-TRE-a9136c7b-55
0.403
MAR-TRE-8190bb11-98
0.400
MAR-TRE-92684b97-84
0.400
MAR-TRE-4f781e27-51
0.397
MAR-TRE-4f781e27-93
0.395
MAR-TRE-4f781e27-14
0.394
MAR-TRE-9d18ae8c-25
0.394
MAR-TRE-9d18ae8c-97
0.394
MAR-TRE-66ac689e-92
0.392
MAR-TRE-8190bb11-11
0.391
MAR-TRE-9d18ae8c-85
0.391
MAR-TRE-4f781e27-45
0.389
MAR-TRE-4f781e27-70
0.388
MAR-TRE-e82e6c98-43
0.388
MAR-TRE-66ac689e-52
0.385
MAR-TRE-66ac689e-84
0.384
MAR-TRE-be9ff7d2-78
0.380
MAR-TRE-be9ff7d2-47
0.379
MAR-TRE-be9ff7d2-97
0.378
MAR-TRE-4f781e27-39
0.377
MAR-TRE-66ac689e-49
0.377
MAR-TRE-66ac689e-36
0.377
MAR-TRE-799db12b-55
0.375
MAR-TRE-799db12b-31
0.373
MAR-TRE-8190bb11-6
0.373
MAR-TRE-4f781e27-56
0.373
MAR-TRE-e82e6c98-70
0.373
MAR-TRE-92684b97-68
0.372
MAR-TRE-92684b97-98
0.372
MAR-TRE-92684b97-41
0.371
MAR-TRE-92684b97-15
0.370
MAR-TRE-be9ff7d2-84
0.370
MAR-TRE-8190bb11-56
0.370
MAR-TRE-66ac689e-81
0.370
MAR-TRE-9d18ae8c-94
0.368
MAR-TRE-66ac689e-58
0.368
MAR-TRE-799db12b-85
0.367
MAR-TRE-9d18ae8c-92
0.367
MAR-TRE-92684b97-77
0.366
MAR-TRE-66ac689e-18
0.366
MAR-TRE-66ac689e-41
0.366
MAR-TRE-be9ff7d2-61
0.365
MAR-TRE-66ac689e-48
0.365
MAR-TRE-66ac689e-71
0.365
MAR-TRE-92684b97-18
0.364
MAR-TRE-92684b97-5
0.364
MAR-TRE-9d18ae8c-82
0.362
MAR-TRE-9d18ae8c-26
0.362
MAR-TRE-be9ff7d2-48
0.362
MAR-TRE-92684b97-56
0.362
MAR-TRE-be9ff7d2-64
0.360
MAR-TRE-799db12b-15
0.360