Molecular Properties | |
SMILES: | O=C(NC(C(=O)O)c1ccc(F)c(Cl)c1)c1cncnc1 |
MW: | 309.03 |
Fraction sp3: | 0.08 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 92.18 |
cLogP: | 1.82 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-799db12b-96
0.700
MAR-TRE-92684b97-80
0.629
MAR-TRE-8190bb11-54
0.619
MAR-TRE-8190bb11-59
0.613
MAR-TRE-799db12b-79
0.591
MAR-TRE-c317dd82-41
0.567
MAR-TRE-a9136c7b-66
0.554
MAR-TRE-8190bb11-71
0.547
MAR-TRE-92684b97-35
0.538
MAR-TRE-8190bb11-28
0.538
MAR-TRE-92684b97-17
0.538
MAR-TRE-a9136c7b-36
0.537
MAR-TRE-799db12b-55
0.529
MAR-TRE-9d18ae8c-28
0.529
MAR-TRE-8190bb11-91
0.516
MAR-TRE-799db12b-95
0.516
MAR-TRE-66ac689e-93
0.507
MAR-TRE-8190bb11-10
0.500
MAR-TRE-a9136c7b-70
0.486
MAR-TRE-799db12b-23
0.478
MAR-TRE-799db12b-15
0.466
MAR-TRE-4f781e27-70
0.463
MAR-TRE-a9136c7b-91
0.458
MAR-TRE-be9ff7d2-86
0.452
MAR-TRE-a9136c7b-55
0.452
MAR-TRE-66ac689e-49
0.449
MAR-TRE-e82e6c98-43
0.441
MAR-TRE-e82e6c98-30
0.441
MAR-TRE-e82e6c98-20
0.437
MAR-TRE-92684b97-27
0.435
MAR-TRE-92684b97-50
0.435
MAR-TRE-9d18ae8c-92
0.430
MAR-TRE-92684b97-32
0.430
MAR-TRE-66ac689e-82
0.427
MAR-TRE-66ac689e-79
0.425
MAR-TRE-799db12b-58
0.423
MAR-TRE-9d18ae8c-64
0.423
MAR-TRE-66ac689e-56
0.421
MAR-TRE-66ac689e-64
0.421
MAR-TRE-66ac689e-58
0.420
MAR-TRE-66ac689e-62
0.420
MAR-TRE-9d18ae8c-59
0.420
MAR-TRE-a9136c7b-48
0.417
MAR-TRE-be9ff7d2-48
0.414
MAR-TRE-66ac689e-71
0.413
MAR-TRE-c317dd82-24
0.408
MAR-TRE-4f781e27-14
0.405
MAR-TRE-66ac689e-80
0.405
MAR-TRE-92684b97-41
0.403
MAR-TRE-9d18ae8c-85
0.403
MAR-TRE-66ac689e-92
0.403
MAR-TRE-4f781e27-68
0.403
MAR-TRE-a9136c7b-26
0.402
MAR-TRE-4f781e27-45
0.400
MAR-TRE-9d18ae8c-60
0.397
MAR-TRE-9d18ae8c-88
0.397
MAR-TRE-799db12b-8
0.395
MAR-TRE-66ac689e-84
0.395
MAR-TRE-9d18ae8c-8
0.395
MAR-TRE-be9ff7d2-61
0.395
MAR-TRE-8190bb11-25
0.390
MAR-TRE-4f781e27-39
0.389
MAR-TRE-92684b97-16
0.388
MAR-TRE-799db12b-78
0.388
MAR-TRE-a9136c7b-35
0.388
MAR-TRE-c317dd82-94
0.387
MAR-TRE-66ac689e-42
0.387
MAR-TRE-a9136c7b-33
0.387
MAR-TRE-e82e6c98-13
0.382
MAR-TRE-66ac689e-81
0.382
MAR-TRE-66ac689e-68
0.382
MAR-TRE-66ac689e-100
0.382
MAR-TRE-92684b97-15
0.382
MAR-TRE-92684b97-63
0.380
MAR-TRE-92684b97-77
0.378
MAR-TRE-66ac689e-85
0.377
MAR-TRE-799db12b-91
0.375
MAR-TRE-9d18ae8c-4
0.375
MAR-TRE-92684b97-56
0.375
MAR-TRE-92684b97-18
0.375
MAR-TRE-be9ff7d2-78
0.373
MAR-TRE-9d18ae8c-26
0.373
MAR-TRE-66ac689e-95
0.373
MAR-TRE-8190bb11-37
0.373
MAR-TRE-9d18ae8c-67
0.373
MAR-TRE-be9ff7d2-97
0.372
MAR-TRE-66ac689e-94
0.372
MAR-TRE-be9ff7d2-47
0.371
MAR-TRE-8190bb11-48
0.370
MAR-TRE-4f781e27-73
0.370
MAR-TRE-e82e6c98-70
0.366
MAR-TRE-9d18ae8c-1
0.366
MAR-TRE-9d18ae8c-21
0.365
MAR-TRE-9d18ae8c-87
0.365
MAR-TRE-8190bb11-32
0.365
MAR-TRE-a9136c7b-20
0.365
MAR-TRE-8190bb11-57
0.365
MAR-TRE-799db12b-32
0.364
MAR-TRE-a9136c7b-46
0.362
MAR-TRE-66ac689e-61
0.362