Molecular Properties | |
SMILES: | O=C(NC(CCO)c1ccc(Cl)c(F)c1)c1cncnc1 |
MW: | 309.07 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 75.11 |
cLogP: | 2.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-66ac689e-68
0.642
MAR-TRE-66ac689e-49
0.641
MAR-TRE-66ac689e-62
0.635
MAR-TRE-be9ff7d2-48
0.600
MAR-TRE-799db12b-96
0.574
MAR-TRE-92684b97-85
0.571
MAR-TRE-4f781e27-73
0.567
MAR-TRE-a9136c7b-55
0.563
MAR-TRE-799db12b-47
0.543
MAR-TRE-a9136c7b-33
0.514
MAR-TRE-799db12b-58
0.506
MAR-TRE-66ac689e-79
0.493
MAR-TRE-66ac689e-92
0.487
MAR-TRE-a9136c7b-26
0.481
MAR-TRE-799db12b-61
0.466
MAR-TRE-9d18ae8c-59
0.451
MAR-TRE-4f781e27-91
0.446
MAR-TRE-66ac689e-95
0.440
MAR-TRE-66ac689e-80
0.434
MAR-TRE-799db12b-50
0.423
MAR-TRE-66ac689e-57
0.419
MAR-TRE-799db12b-80
0.418
MAR-TRE-c317dd82-94
0.416
MAR-TRE-799db12b-55
0.416
MAR-TRE-8190bb11-47
0.413
MAR-TRE-92684b97-80
0.413
MAR-TRE-4f781e27-68
0.412
MAR-TRE-4f781e27-4
0.412
MAR-TRE-4f781e27-70
0.411
MAR-TRE-66ac689e-58
0.411
MAR-TRE-e82e6c98-13
0.410
MAR-TRE-66ac689e-41
0.408
MAR-TRE-8190bb11-54
0.408
MAR-TRE-a9136c7b-46
0.407
MAR-TRE-9d18ae8c-94
0.407
MAR-TRE-92684b97-56
0.405
MAR-TRE-e82e6c98-46
0.402
MAR-TRE-a9136c7b-49
0.400
MAR-TRE-8190bb11-59
0.400
MAR-TRE-66ac689e-97
0.400
MAR-TRE-a9136c7b-58
0.398
MAR-TRE-92684b97-86
0.397
MAR-TRE-e82e6c98-70
0.397
MAR-TRE-8190bb11-6
0.395
MAR-TRE-9d18ae8c-21
0.395
MAR-TRE-8190bb11-11
0.395
MAR-TRE-799db12b-79
0.392
MAR-TRE-92684b97-15
0.392
MAR-TRE-e82e6c98-43
0.392
MAR-TRE-66ac689e-18
0.390
MAR-TRE-e82e6c98-20
0.390
MAR-TRE-92684b97-49
0.389
MAR-TRE-9d18ae8c-50
0.386
MAR-TRE-92684b97-71
0.385
MAR-TRE-9d18ae8c-19
0.384
MAR-TRE-9d18ae8c-24
0.384
MAR-TRE-66ac689e-82
0.383
MAR-TRE-8190bb11-90
0.381
MAR-TRE-a9136c7b-71
0.381
MAR-TRE-799db12b-94
0.380
MAR-TRE-799db12b-46
0.380
MAR-TRE-66ac689e-42
0.380
MAR-TRE-9d18ae8c-40
0.380
MAR-TRE-66ac689e-64
0.378
MAR-TRE-66ac689e-56
0.378
MAR-TRE-a9136c7b-66
0.377
MAR-TRE-92684b97-2
0.376
MAR-TRE-66ac689e-100
0.375
MAR-TRE-a9136c7b-59
0.373
MAR-TRE-4f781e27-71
0.373
MAR-TRE-92684b97-32
0.372
MAR-TRE-9d18ae8c-92
0.372
MAR-TRE-a9136c7b-48
0.372
MAR-TRE-92684b97-77
0.372
MAR-TRE-66ac689e-85
0.370
MAR-TRE-799db12b-91
0.368
MAR-TRE-9d18ae8c-26
0.368
MAR-TRE-a9136c7b-36
0.367
MAR-TRE-9d18ae8c-67
0.367
MAR-TRE-c317dd82-24
0.366
MAR-TRE-a9136c7b-70
0.366
MAR-TRE-66ac689e-94
0.366
MAR-TRE-a9136c7b-35
0.365
MAR-TRE-a9136c7b-69
0.365
MAR-TRE-8190bb11-93
0.365
MAR-TRE-92684b97-16
0.365
MAR-TRE-8190bb11-48
0.364
MAR-TRE-9d18ae8c-97
0.362
MAR-TRE-66ac689e-93
0.362
MAR-TRE-4f781e27-56
0.361
MAR-TRE-799db12b-95
0.360
MAR-TRE-8190bb11-91
0.360
MAR-TRE-92684b97-41
0.359
MAR-TRE-9d18ae8c-87
0.359
MAR-TRE-a9136c7b-91
0.358
MAR-TRE-a9136c7b-63
0.356
MAR-TRE-92684b97-63
0.355
MAR-TRE-799db12b-23
0.354
MAR-TRE-8190bb11-72
0.354
MAR-TRE-be9ff7d2-61
0.354