Molecular Properties | |
SMILES: | Cn1ccc(C(NC(=O)c2cncnc2)c2ccc(Cl)cc2)n1 |
MW: | 327.09 |
Fraction sp3: | 0.12 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 72.7 |
cLogP: | 2.38 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-66ac689e-100
0.774
MAR-TRE-66ac689e-56
0.592
MAR-TRE-66ac689e-64
0.527
MAR-TRE-4f781e27-70
0.493
MAR-TRE-9d18ae8c-92
0.475
MAR-TRE-66ac689e-49
0.458
MAR-TRE-9d18ae8c-41
0.455
MAR-TRE-66ac689e-80
0.453
MAR-TRE-66ac689e-79
0.453
MAR-TRE-92684b97-15
0.447
MAR-TRE-66ac689e-85
0.442
MAR-TRE-799db12b-8
0.439
MAR-TRE-a9136c7b-35
0.432
MAR-TRE-8190bb11-89
0.430
MAR-TRE-799db12b-61
0.427
MAR-TRE-be9ff7d2-47
0.423
MAR-TRE-9d18ae8c-67
0.421
MAR-TRE-799db12b-28
0.420
MAR-TRE-799db12b-58
0.415
MAR-TRE-92684b97-16
0.415
MAR-TRE-a9136c7b-77
0.412
MAR-TRE-a9136c7b-26
0.412
MAR-TRE-66ac689e-58
0.411
MAR-TRE-799db12b-96
0.408
MAR-TRE-92684b97-32
0.405
MAR-TRE-c317dd82-97
0.402
MAR-TRE-66ac689e-94
0.400
MAR-TRE-e82e6c98-31
0.395
MAR-TRE-92684b97-80
0.395
MAR-TRE-a9136c7b-91
0.392
MAR-TRE-9d18ae8c-59
0.392
MAR-TRE-799db12b-15
0.383
MAR-TRE-c317dd82-24
0.383
MAR-TRE-a9136c7b-70
0.383
MAR-TRE-4f781e27-51
0.383
MAR-TRE-9d18ae8c-22
0.381
MAR-TRE-799db12b-55
0.380
MAR-TRE-66ac689e-42
0.380
MAR-TRE-a9136c7b-93
0.378
MAR-TRE-799db12b-31
0.378
MAR-TRE-4f781e27-68
0.378
MAR-TRE-a9136c7b-66
0.377
MAR-TRE-e82e6c98-43
0.373
MAR-TRE-a9136c7b-52
0.372
MAR-TRE-a9136c7b-48
0.372
MAR-TRE-8190bb11-54
0.372
MAR-TRE-92684b97-77
0.372
MAR-TRE-e82e6c98-20
0.372
MAR-TRE-9d18ae8c-99
0.370
MAR-TRE-8190bb11-67
0.369
MAR-TRE-9d18ae8c-4
0.369
MAR-TRE-92684b97-18
0.369
MAR-TRE-be9ff7d2-48
0.368
MAR-TRE-4f781e27-9
0.368
MAR-TRE-a9136c7b-36
0.367
MAR-TRE-66ac689e-36
0.365
MAR-TRE-799db12b-19
0.364
MAR-TRE-66ac689e-57
0.364
MAR-TRE-8190bb11-59
0.364
MAR-TRE-92684b97-12
0.364
MAR-TRE-c317dd82-94
0.362
MAR-TRE-9d18ae8c-1
0.360
MAR-TRE-799db12b-95
0.360
MAR-TRE-8190bb11-91
0.360
MAR-TRE-8190bb11-47
0.359
MAR-TRE-9d18ae8c-87
0.359
MAR-TRE-9d18ae8c-85
0.359
MAR-TRE-4f781e27-84
0.359
MAR-TRE-799db12b-79
0.358
MAR-TRE-e82e6c98-13
0.358
MAR-TRE-66ac689e-45
0.357
MAR-TRE-92684b97-1
0.356
MAR-TRE-e82e6c98-30
0.355
MAR-TRE-92684b97-63
0.355
MAR-TRE-8190bb11-5
0.355
MAR-TRE-66ac689e-62
0.355
MAR-TRE-9d18ae8c-37
0.354
MAR-TRE-a9136c7b-55
0.354
MAR-TRE-799db12b-91
0.351
MAR-TRE-92684b97-56
0.351
MAR-TRE-66ac689e-95
0.350
MAR-TRE-92684b97-72
0.350
MAR-TRE-92684b97-88
0.350
MAR-TRE-a9136c7b-49
0.349
MAR-TRE-a9136c7b-21
0.348
MAR-TRE-799db12b-94
0.346
MAR-TRE-9d18ae8c-21
0.342
MAR-TRE-4f781e27-45
0.341
MAR-TRE-c317dd82-41
0.338
MAR-TRE-be9ff7d2-3
0.338
MAR-TRE-799db12b-23
0.338
MAR-TRE-66ac689e-18
0.338
MAR-TRE-8190bb11-72
0.338
MAR-TRE-66ac689e-3
0.338
MAR-TRE-4f781e27-24
0.338
MAR-TRE-66ac689e-71
0.337
MAR-TRE-e82e6c98-46
0.337
MAR-TRE-92684b97-84
0.337
MAR-TRE-9d18ae8c-26
0.337
MAR-TRE-c317dd82-48
0.333