Molecular Properties | |
SMILES: | O=C(O)CCC(NC(=O)c1cncnc1)c1ccc(Cl)c(Cl)c1 |
MW: | 353.03 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 92.18 |
cLogP: | 3.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
MAR-TRE-66ac689e-92
0.672
MAR-TRE-799db12b-50
0.594
MAR-TRE-799db12b-15
0.563
MAR-TRE-be9ff7d2-48
0.515
MAR-TRE-66ac689e-49
0.507
MAR-TRE-9d18ae8c-59
0.500
MAR-TRE-66ac689e-79
0.479
MAR-TRE-66ac689e-62
0.478
MAR-TRE-92684b97-85
0.473
MAR-TRE-4f781e27-73
0.465
MAR-TRE-e82e6c98-70
0.464
MAR-TRE-799db12b-80
0.461
MAR-TRE-92684b97-86
0.459
MAR-TRE-9d18ae8c-21
0.458
MAR-TRE-66ac689e-68
0.453
MAR-TRE-66ac689e-41
0.452
MAR-TRE-799db12b-61
0.452
MAR-TRE-92684b97-56
0.451
MAR-TRE-799db12b-47
0.446
MAR-TRE-a9136c7b-49
0.442
MAR-TRE-66ac689e-97
0.442
MAR-TRE-92684b97-80
0.438
MAR-TRE-8190bb11-54
0.432
MAR-TRE-66ac689e-18
0.432
MAR-TRE-799db12b-96
0.432
MAR-TRE-c317dd82-94
0.421
MAR-TRE-66ac689e-80
0.421
MAR-TRE-a9136c7b-71
0.420
MAR-TRE-8190bb11-11
0.419
MAR-TRE-4f781e27-4
0.418
MAR-TRE-e82e6c98-13
0.416
MAR-TRE-e82e6c98-46
0.407
MAR-TRE-66ac689e-57
0.405
MAR-TRE-a9136c7b-70
0.405
MAR-TRE-8190bb11-91
0.403
MAR-TRE-9d18ae8c-40
0.403
MAR-TRE-9d18ae8c-97
0.403
MAR-TRE-8190bb11-90
0.402
MAR-TRE-8190bb11-6
0.400
MAR-TRE-a9136c7b-66
0.400
MAR-TRE-8190bb11-47
0.400
MAR-TRE-4f781e27-91
0.395
MAR-TRE-9d18ae8c-50
0.390
MAR-TRE-66ac689e-95
0.390
MAR-TRE-92684b97-71
0.390
MAR-TRE-9d18ae8c-24
0.388
MAR-TRE-8190bb11-48
0.387
MAR-TRE-8190bb11-59
0.387
MAR-TRE-a9136c7b-33
0.385
MAR-TRE-799db12b-46
0.385
MAR-TRE-799db12b-94
0.385
MAR-TRE-799db12b-95
0.384
MAR-TRE-92684b97-2
0.381
MAR-TRE-66ac689e-81
0.380
MAR-TRE-e82e6c98-43
0.378
MAR-TRE-66ac689e-58
0.378
MAR-TRE-4f781e27-70
0.378
MAR-TRE-4f781e27-71
0.378
MAR-TRE-799db12b-91
0.373
MAR-TRE-9d18ae8c-19
0.372
MAR-TRE-9d18ae8c-26
0.372
MAR-TRE-9d18ae8c-67
0.372
MAR-TRE-be9ff7d2-47
0.370
MAR-TRE-799db12b-58
0.369
MAR-TRE-8190bb11-93
0.369
MAR-TRE-a9136c7b-69
0.369
MAR-TRE-8190bb11-28
0.368
MAR-TRE-4f781e27-39
0.368
MAR-TRE-a9136c7b-81
0.367
MAR-TRE-4f781e27-68
0.366
MAR-TRE-e82e6c98-52
0.366
MAR-TRE-a9136c7b-59
0.361
MAR-TRE-c317dd82-41
0.361
MAR-TRE-92684b97-32
0.360
MAR-TRE-e82e6c98-30
0.360
MAR-TRE-a9136c7b-48
0.359
MAR-TRE-e82e6c98-20
0.359
MAR-TRE-799db12b-23
0.359
MAR-TRE-4f781e27-44
0.358
MAR-TRE-92684b97-50
0.355
MAR-TRE-be9ff7d2-90
0.355
MAR-TRE-8190bb11-71
0.355
MAR-TRE-92684b97-87
0.355
MAR-TRE-a9136c7b-36
0.354
MAR-TRE-66ac689e-82
0.354
MAR-TRE-9d18ae8c-51
0.353
MAR-TRE-a9136c7b-26
0.352
MAR-TRE-92684b97-17
0.351
MAR-TRE-92684b97-35
0.351
MAR-TRE-8190bb11-62
0.351
MAR-TRE-9d18ae8c-28
0.350
MAR-TRE-66ac689e-93
0.350
MAR-TRE-9d18ae8c-80
0.349
MAR-TRE-66ac689e-56
0.349
MAR-TRE-66ac689e-64
0.349
MAR-TRE-a9136c7b-93
0.349
MAR-TRE-4f781e27-56
0.349
MAR-TRE-92684b97-41
0.346
MAR-TRE-92684b97-51
0.346
MAR-TRE-9d18ae8c-87
0.346