Molecular Properties | |
SMILES: | O=C(CCCNC(=O)c1cncnc1)Nc1ccc(Cl)cc1 |
MW: | 318.09 |
Fraction sp3: | 0.2 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 83.98 |
cLogP: | 2.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Aliphatic long chain
Long aliphatic chain
MAR-TRE-4f781e27-49
0.429
MAR-TRE-c317dd82-63
0.425
MAR-TRE-8190bb11-96
0.425
MAR-TRE-4f781e27-84
0.425
MAR-TRE-4f781e27-85
0.417
MAR-TRE-e82e6c98-26
0.411
MAR-TRE-be9ff7d2-41
0.405
MAR-TRE-66ac689e-59
0.400
MAR-TRE-92684b97-72
0.395
MAR-TRE-92684b97-88
0.395
MAR-TRE-9d18ae8c-53
0.392
MAR-TRE-4f781e27-12
0.392
MAR-TRE-c317dd82-92
0.390
MAR-TRE-66ac689e-37
0.380
MAR-TRE-8190bb11-33
0.380
MAR-TRE-4f781e27-43
0.377
MAR-TRE-9d18ae8c-49
0.372
MAR-TRE-4f781e27-7
0.370
MAR-TRE-e82e6c98-29
0.367
MAR-TRE-4f781e27-58
0.362
MAR-TRE-a9136c7b-51
0.361
MAR-TRE-799db12b-24
0.361
MAR-TRE-799db12b-33
0.361
MAR-TRE-9d18ae8c-54
0.361
MAR-TRE-8190bb11-95
0.358
MAR-TRE-92684b97-89
0.358
MAR-TRE-be9ff7d2-37
0.357
MAR-TRE-66ac689e-49
0.355
MAR-TRE-be9ff7d2-19
0.354
MAR-TRE-c317dd82-35
0.354
MAR-TRE-66ac689e-80
0.354
MAR-TRE-8190bb11-69
0.354
MAR-TRE-be9ff7d2-39
0.353
AAR-UNI-c25c2f1e-87
0.352
MAR-TRE-e82e6c98-76
0.351
MAR-TRE-9d18ae8c-58
0.350
MAR-TRE-66ac689e-51
0.350
MAR-TRE-a9136c7b-28
0.350
MAR-TRE-e82e6c98-51
0.349
MAR-TRE-4f781e27-70
0.347
MAR-TRE-4f781e27-19
0.346
AAR-UNI-c25c2f1e-71
0.346
MAR-TRE-a3327163-48
0.343
MAR-TRE-e82e6c98-54
0.342
MAR-TRE-be9ff7d2-90
0.342
MAR-TRE-e82e6c98-47
0.342
MAR-TRE-be9ff7d2-89
0.341
MAR-TRE-66ac689e-65
0.341
MAR-TRE-8190bb11-39
0.341
MAR-TRE-9d18ae8c-52
0.341
MAR-TRE-e82e6c98-57
0.338
MAR-TRE-7f7bb9f0-74
0.338
MAR-TRE-8190bb11-42
0.338
MAR-TRE-66ac689e-79
0.338
MAR-TRE-4f781e27-31
0.338
MAR-TRE-e82e6c98-18
0.337
MAR-TRE-799db12b-16
0.337
MAR-TRE-799db12b-27
0.337
MAR-TRE-8190bb11-88
0.337
MAR-TRE-9d18ae8c-7
0.337
MAR-TRE-799db12b-76
0.337
MAR-TRE-a9136c7b-11
0.337
MAR-TRE-be9ff7d2-5
0.333
MAR-TRE-be9ff7d2-40
0.333
MAR-TRE-a9136c7b-23
0.333
MAR-TRE-a9136c7b-89
0.333
MAR-TRE-9d18ae8c-43
0.333
MAR-TRE-66ac689e-88
0.333
MAR-TRE-9d18ae8c-89
0.333
MAR-TRE-92684b97-6
0.330
MAR-TRE-9d18ae8c-18
0.329
MAR-TRE-799db12b-2
0.329
MAR-TRE-799db12b-68
0.329
MAR-TRE-799db12b-3
0.329
MAR-TRE-66ac689e-73
0.329
MAR-TRE-799db12b-39
0.329
MAR-TRE-9d18ae8c-10
0.326
MAR-TRE-9d18ae8c-30
0.326
MAR-TRE-c317dd82-59
0.326
MAR-TRE-4f781e27-2
0.326
MAR-TRE-66ac689e-35
0.325
MAR-TRE-e82e6c98-22
0.325
MAR-TRE-e82e6c98-75
0.325
MAR-TRE-799db12b-84
0.325
MAR-TRE-92684b97-78
0.324
MAR-TRE-8190bb11-64
0.322
MAR-TRE-8190bb11-30
0.321
MAR-TRE-9d18ae8c-48
0.321
MAR-TRE-c317dd82-91
0.321
MAR-TRE-66ac689e-12
0.321
MAR-TRE-e82e6c98-80
0.321
MAR-TRE-9d18ae8c-11
0.318
MAR-TRE-799db12b-51
0.318
MAR-TRE-9d18ae8c-77
0.318
MAR-TRE-92684b97-37
0.318
MAR-TRE-4f781e27-16
0.317
MAR-TRE-92684b97-54
0.317
MAR-TRE-9d18ae8c-74
0.317
MAR-TRE-8190bb11-65
0.316
MAR-TRE-9d18ae8c-15
0.316