Molecular Properties | |
SMILES: | O=C(NCC(O)Cc1ccc(Cl)cc1)c1cncnc1 |
MW: | 291.08 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 75.11 |
cLogP: | 1.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-92684b97-72
0.645
MAR-TRE-92684b97-88
0.645
MAR-TRE-92684b97-75
0.464
MAR-TRE-4f781e27-36
0.438
MAR-TRE-e82e6c98-50
0.425
MAR-TRE-8190bb11-18
0.418
MAR-TRE-66ac689e-49
0.414
MAR-TRE-8190bb11-68
0.410
MAR-TRE-8190bb11-76
0.405
MAR-TRE-92684b97-47
0.395
MAR-TRE-be9ff7d2-49
0.394
MAR-TRE-66ac689e-79
0.392
MAR-TRE-66ac689e-80
0.392
MAR-TRE-92684b97-91
0.390
MAR-TRE-66ac689e-98
0.387
MAR-TRE-4f781e27-70
0.386
MAR-TRE-e82e6c98-20
0.384
MAR-TRE-92684b97-78
0.382
MAR-TRE-be9ff7d2-90
0.380
MAR-TRE-be9ff7d2-89
0.377
MAR-TRE-92684b97-46
0.375
MAR-TRE-e82e6c98-57
0.375
MAR-TRE-9d18ae8c-49
0.373
MAR-TRE-66ac689e-12
0.373
MAR-TRE-e82e6c98-14
0.372
MAR-TRE-e82e6c98-18
0.372
MAR-TRE-8190bb11-24
0.371
MAR-TRE-8190bb11-85
0.371
MAR-TRE-be9ff7d2-57
0.366
MAR-TRE-a9136c7b-48
0.365
MAR-TRE-8190bb11-13
0.361
MAR-TRE-4f781e27-85
0.361
MAR-TRE-be9ff7d2-43
0.360
MAR-TRE-66ac689e-82
0.359
MAR-TRE-8190bb11-95
0.359
MAR-TRE-8190bb11-42
0.356
MAR-TRE-799db12b-16
0.354
MAR-TRE-8190bb11-88
0.354
MAR-TRE-66ac689e-56
0.354
MAR-TRE-4f781e27-49
0.352
MAR-TRE-799db12b-95
0.352
MAR-TRE-92684b97-51
0.351
MAR-TRE-799db12b-35
0.351
MAR-TRE-4f781e27-99
0.351
MAR-TRE-c317dd82-63
0.351
MAR-TRE-a9136c7b-66
0.351
MAR-TRE-9d18ae8c-89
0.351
MAR-TRE-66ac689e-26
0.351
MAR-TRE-799db12b-87
0.350
MAR-TRE-66ac689e-34
0.350
MAR-TRE-8190bb11-50
0.347
MAR-TRE-e82e6c98-56
0.346
MAR-TRE-799db12b-48
0.346
MAR-TRE-e82e6c98-54
0.342
MAR-TRE-92684b97-11
0.342
MAR-TRE-799db12b-84
0.342
MAR-TRE-66ac689e-20
0.342
MAR-TRE-92684b97-14
0.342
MAR-TRE-a9136c7b-78
0.341
MAR-TRE-9d18ae8c-30
0.341
MAR-TRE-9d18ae8c-91
0.341
MAR-TRE-8190bb11-59
0.338
MAR-TRE-c317dd82-35
0.338
MAR-TRE-4f781e27-77
0.338
MAR-TRE-66ac689e-21
0.338
MAR-TRE-66ac689e-64
0.338
MAR-TRE-be9ff7d2-39
0.337
MAR-TRE-be9ff7d2-7
0.337
MAR-TRE-a9136c7b-91
0.333
MAR-TRE-be9ff7d2-67
0.333
MAR-TRE-8190bb11-96
0.333
MAR-TRE-799db12b-52
0.333
MAR-TRE-92684b97-41
0.333
MAR-TRE-a9136c7b-28
0.333
MAR-TRE-a9136c7b-76
0.333
MAR-TRE-4f781e27-88
0.333
MAR-TRE-92684b97-54
0.333
MAR-TRE-92684b97-6
0.329
MAR-TRE-9d18ae8c-54
0.329
MAR-TRE-66ac689e-73
0.329
MAR-TRE-66ac689e-37
0.329
MAR-TRE-4f781e27-100
0.329
MAR-TRE-c317dd82-86
0.329
MAR-TRE-799db12b-61
0.329
MAR-TRE-66ac689e-59
0.329
MAR-TRE-799db12b-96
0.329
MAR-TRE-8190bb11-97
0.329
MAR-TRE-a9136c7b-5
0.326
MAR-TRE-9d18ae8c-13
0.325
MAR-TRE-c317dd82-59
0.325
MAR-TRE-c317dd82-25
0.325
MAR-TRE-4f781e27-92
0.325
MAR-TRE-799db12b-15
0.325
MAR-TRE-9d18ae8c-53
0.325
MAR-TRE-799db12b-44
0.325
MAR-TRE-4f781e27-43
0.325
MAR-TRE-a9136c7b-36
0.325
MAR-TRE-be9ff7d2-48
0.324
MAR-TRE-92684b97-52
0.324
MAR-TRE-e82e6c98-77
0.324