Molecular Properties | |
SMILES: | O=C(NC(c1cc(Cl)ccc1Cl)C1CCOC1)c1cncnc1 |
MW: | 351.05 |
Fraction sp3: | 0.31 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 64.11 |
cLogP: | 3.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-8190bb11-56
0.427
MAR-TRE-799db12b-62
0.425
MAR-TRE-92684b97-3
0.416
MAR-TRE-a9136c7b-66
0.412
MAR-TRE-be9ff7d2-12
0.412
MAR-TRE-a9136c7b-29
0.407
MAR-TRE-e82e6c98-56
0.405
MAR-TRE-be9ff7d2-35
0.395
MAR-TRE-be9ff7d2-29
0.391
MAR-TRE-a9136c7b-48
0.390
MAR-TRE-8190bb11-91
0.380
MAR-TRE-a9136c7b-91
0.376
MAR-TRE-799db12b-8
0.374
MAR-TRE-799db12b-61
0.373
MAR-TRE-799db12b-96
0.373
MAR-TRE-8190bb11-59
0.366
MAR-TRE-92684b97-80
0.361
MAR-TRE-8190bb11-54
0.357
MAR-TRE-e82e6c98-88
0.356
MAR-TRE-a9136c7b-36
0.353
MAR-TRE-799db12b-58
0.352
MAR-TRE-66ac689e-80
0.349
MAR-TRE-799db12b-95
0.346
MAR-TRE-92684b97-32
0.344
MAR-TRE-c317dd82-41
0.342
MAR-TRE-4f781e27-70
0.341
MAR-TRE-e82e6c98-20
0.341
MAR-TRE-799db12b-23
0.341
MAR-TRE-e82e6c98-79
0.341
MAR-TRE-9d18ae8c-57
0.341
MAR-TRE-be9ff7d2-69
0.337
MAR-TRE-8190bb11-98
0.337
MAR-TRE-799db12b-15
0.337
MAR-TRE-c317dd82-24
0.337
MAR-TRE-a9136c7b-26
0.337
MAR-TRE-c317dd82-94
0.333
MAR-TRE-a9136c7b-33
0.333
MAR-TRE-66ac689e-49
0.333
MAR-TRE-66ac689e-64
0.333
MAR-TRE-9d18ae8c-86
0.330
MAR-TRE-9d18ae8c-92
0.330
MAR-TRE-a9136c7b-46
0.330
MAR-TRE-c317dd82-71
0.330
MAR-TRE-be9ff7d2-55
0.326
MAR-TRE-a9136c7b-74
0.326
MAR-TRE-e82e6c98-34
0.326
MAR-TRE-a9136c7b-55
0.326
MAR-TRE-e82e6c98-30
0.325
MAR-TRE-e82e6c98-43
0.325
MAR-TRE-92684b97-16
0.323
MAR-TRE-66ac689e-82
0.322
MAR-TRE-e82e6c98-81
0.322
MAR-TRE-92684b97-88
0.322
MAR-TRE-c317dd82-96
0.321
MAR-TRE-be9ff7d2-48
0.321
MAR-TRE-799db12b-91
0.321
MAR-TRE-8190bb11-71
0.321
MAR-TRE-66ac689e-92
0.319
MAR-TRE-66ac689e-56
0.319
MAR-TRE-799db12b-55
0.318
MAR-TRE-66ac689e-79
0.318
MAR-TRE-8190bb11-28
0.318
MAR-TRE-92684b97-35
0.318
MAR-TRE-be9ff7d2-47
0.317
MAR-TRE-c317dd82-85
0.316
MAR-TRE-8190bb11-10
0.315
MAR-TRE-92684b97-20
0.315
MAR-TRE-4f781e27-9
0.312
MAR-TRE-be9ff7d2-60
0.312
MAR-TRE-e82e6c98-46
0.312
MAR-TRE-be9ff7d2-86
0.311
MAR-TRE-66ac689e-2
0.311
MAR-TRE-c317dd82-73
0.310
MAR-TRE-e82e6c98-71
0.310
MAR-TRE-9d18ae8c-59
0.310
MAR-TRE-799db12b-45
0.309
MAR-TRE-a9136c7b-70
0.308
MAR-TRE-be9ff7d2-16
0.307
MAR-TRE-be9ff7d2-90
0.306
MAR-TRE-92684b97-27
0.306
MAR-TRE-92684b97-50
0.306
MAR-TRE-66ac689e-42
0.303
MAR-TRE-92684b97-17
0.302
MAR-TRE-e82e6c98-33
0.302
MAR-TRE-799db12b-7
0.301
MAR-TRE-be9ff7d2-81
0.301
MAR-TRE-66ac689e-45
0.301
MAR-TRE-66ac689e-61
0.301
MAR-TRE-4f781e27-71
0.301
MAR-TRE-e82e6c98-13
0.300
MAR-TRE-799db12b-79
0.300
MAR-TRE-8190bb11-41
0.300
MAR-TRE-9d18ae8c-64
0.299
MAR-TRE-8190bb11-65
0.299
MAR-TRE-92684b97-99
0.299
MAR-TRE-8190bb11-32
0.299
MAR-TRE-4f781e27-84
0.299
MAR-TRE-a9136c7b-21
0.297
MAR-TRE-be9ff7d2-61
0.297
MAR-TRE-66ac689e-27
0.297