Molecular Properties | |
SMILES: | O=C(NC(C(=O)O)c1cccc(Cl)c1Cl)c1cncnc1 |
MW: | 325.0 |
Fraction sp3: | 0.08 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 92.18 |
cLogP: | 2.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-8190bb11-91
0.672
MAR-TRE-9d18ae8c-64
0.603
MAR-TRE-799db12b-95
0.590
MAR-TRE-92684b97-50
0.571
MAR-TRE-a9136c7b-66
0.554
MAR-TRE-92684b97-27
0.547
MAR-TRE-8190bb11-59
0.538
MAR-TRE-a9136c7b-36
0.537
MAR-TRE-9d18ae8c-8
0.536
MAR-TRE-8190bb11-54
0.500
MAR-TRE-be9ff7d2-86
0.493
MAR-TRE-92684b97-80
0.485
MAR-TRE-799db12b-96
0.478
MAR-TRE-799db12b-61
0.478
MAR-TRE-8190bb11-71
0.478
MAR-TRE-92684b97-35
0.471
MAR-TRE-8190bb11-28
0.471
MAR-TRE-92684b97-17
0.471
MAR-TRE-8190bb11-25
0.466
MAR-TRE-c317dd82-41
0.446
MAR-TRE-66ac689e-93
0.444
MAR-TRE-e82e6c98-30
0.441
MAR-TRE-8190bb11-10
0.438
MAR-TRE-799db12b-91
0.435
MAR-TRE-4f781e27-86
0.431
MAR-TRE-9d18ae8c-28
0.425
MAR-TRE-9d18ae8c-97
0.425
MAR-TRE-a9136c7b-91
0.419
MAR-TRE-4f781e27-40
0.411
MAR-TRE-799db12b-79
0.400
MAR-TRE-e82e6c98-20
0.397
MAR-TRE-9d18ae8c-88
0.397
MAR-TRE-66ac689e-84
0.395
MAR-TRE-9d18ae8c-17
0.392
MAR-TRE-4f781e27-9
0.390
MAR-TRE-a9136c7b-70
0.390
MAR-TRE-4f781e27-14
0.387
MAR-TRE-92684b97-99
0.384
MAR-TRE-4f781e27-45
0.382
MAR-TRE-9d18ae8c-59
0.380
MAR-TRE-a9136c7b-48
0.378
MAR-TRE-4f781e27-91
0.378
MAR-TRE-92684b97-32
0.378
MAR-TRE-9d18ae8c-92
0.378
MAR-TRE-9d18ae8c-99
0.377
MAR-TRE-8190bb11-48
0.370
MAR-TRE-8190bb11-62
0.370
MAR-TRE-4f781e27-39
0.370
MAR-TRE-92684b97-86
0.368
MAR-TRE-66ac689e-72
0.368
MAR-TRE-66ac689e-92
0.367
MAR-TRE-4f781e27-56
0.367
MAR-TRE-9d18ae8c-85
0.365
MAR-TRE-92684b97-51
0.365
MAR-TRE-66ac689e-81
0.364
MAR-TRE-8190bb11-26
0.362
MAR-TRE-9d18ae8c-60
0.362
MAR-TRE-8190bb11-14
0.362
MAR-TRE-9d18ae8c-94
0.362
MAR-TRE-66ac689e-61
0.362
MAR-TRE-e82e6c98-43
0.361
MAR-TRE-66ac689e-58
0.361
MAR-TRE-4f781e27-70
0.361
MAR-TRE-66ac689e-41
0.360
MAR-TRE-92684b97-77
0.360
MAR-TRE-a9136c7b-55
0.359
MAR-TRE-66ac689e-48
0.359
MAR-TRE-66ac689e-71
0.359
MAR-TRE-be9ff7d2-61
0.359
MAR-TRE-9d18ae8c-4
0.358
MAR-TRE-8190bb11-98
0.355
MAR-TRE-9d18ae8c-67
0.355
MAR-TRE-799db12b-15
0.354
MAR-TRE-be9ff7d2-97
0.354
MAR-TRE-799db12b-78
0.354
MAR-TRE-be9ff7d2-47
0.352
MAR-TRE-66ac689e-49
0.351
MAR-TRE-799db12b-55
0.351
MAR-TRE-9d18ae8c-80
0.350
MAR-TRE-66ac689e-56
0.350
MAR-TRE-9d18ae8c-1
0.349
MAR-TRE-e82e6c98-70
0.347
MAR-TRE-8190bb11-11
0.347
MAR-TRE-92684b97-41
0.347
MAR-TRE-92684b97-85
0.346
MAR-TRE-be9ff7d2-84
0.346
MAR-TRE-a9136c7b-28
0.346
MAR-TRE-66ac689e-45
0.346
MAR-TRE-66ac689e-52
0.345
MAR-TRE-92684b97-1
0.345
MAR-TRE-8190bb11-5
0.342
MAR-TRE-66ac689e-27
0.342
MAR-TRE-66ac689e-77
0.341
MAR-TRE-be9ff7d2-78
0.341
MAR-TRE-9d18ae8c-26
0.341
MAR-TRE-92684b97-56
0.338
MAR-TRE-be9ff7d2-48
0.338
MAR-TRE-66ac689e-82
0.338
MAR-TRE-66ac689e-97
0.338
MAR-TRE-4f781e27-51
0.338