Molecular Properties | |
SMILES: | COc1ccc(C(CN2CCCC2)NC(=O)c2cncnc2)cc1 |
MW: | 326.17 |
Fraction sp3: | 0.39 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 67.35 |
cLogP: | 2.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-66ac689e-57
0.627
MAR-TRE-799db12b-46
0.614
MAR-TRE-66ac689e-18
0.609
MAR-TRE-799db12b-47
0.600
MAR-TRE-799db12b-94
0.592
MAR-TRE-799db12b-80
0.589
MAR-TRE-799db12b-50
0.575
MAR-TRE-a9136c7b-59
0.553
MAR-TRE-92684b97-71
0.455
MAR-TRE-66ac689e-95
0.455
MAR-TRE-92684b97-1
0.452
MAR-TRE-799db12b-28
0.451
MAR-TRE-8190bb11-67
0.451
MAR-TRE-66ac689e-97
0.450
MAR-TRE-9d18ae8c-40
0.449
MAR-TRE-66ac689e-80
0.449
MAR-TRE-8190bb11-90
0.446
MAR-TRE-799db12b-31
0.444
MAR-TRE-92684b97-2
0.440
MAR-TRE-a9136c7b-49
0.432
MAR-TRE-66ac689e-79
0.430
MAR-TRE-9d18ae8c-24
0.430
MAR-TRE-9d18ae8c-59
0.427
MAR-TRE-92684b97-77
0.423
MAR-TRE-8190bb11-38
0.422
MAR-TRE-92684b97-56
0.421
MAR-TRE-9d18ae8c-19
0.414
MAR-TRE-c317dd82-94
0.412
MAR-TRE-9d18ae8c-21
0.410
MAR-TRE-8190bb11-47
0.410
MAR-TRE-66ac689e-62
0.408
MAR-TRE-a9136c7b-98
0.407
MAR-TRE-799db12b-32
0.407
MAR-TRE-a9136c7b-46
0.405
MAR-TRE-4f781e27-71
0.405
MAR-TRE-e82e6c98-46
0.400
MAR-TRE-66ac689e-49
0.397
MAR-TRE-4f781e27-73
0.397
MAR-TRE-a9136c7b-71
0.395
MAR-TRE-4f781e27-20
0.395
MAR-TRE-66ac689e-93
0.395
MAR-TRE-92684b97-86
0.395
MAR-TRE-e82e6c98-70
0.395
MAR-TRE-a9136c7b-5
0.393
MAR-TRE-4f781e27-56
0.393
MAR-TRE-8190bb11-11
0.392
MAR-TRE-92684b97-92
0.391
MAR-TRE-92684b97-68
0.391
MAR-TRE-92684b97-85
0.390
MAR-TRE-92684b97-49
0.387
MAR-TRE-92684b97-93
0.386
MAR-TRE-66ac689e-87
0.384
MAR-TRE-8190bb11-70
0.384
MAR-TRE-799db12b-84
0.383
MAR-TRE-8190bb11-61
0.382
MAR-TRE-4f781e27-9
0.382
MAR-TRE-be9ff7d2-64
0.381
MAR-TRE-8190bb11-93
0.379
MAR-TRE-799db12b-19
0.378
MAR-TRE-e82e6c98-13
0.373
MAR-TRE-799db12b-79
0.373
MAR-TRE-9d18ae8c-60
0.372
MAR-TRE-9d18ae8c-86
0.371
MAR-TRE-e82e6c98-71
0.370
MAR-TRE-66ac689e-41
0.370
MAR-TRE-be9ff7d2-3
0.370
MAR-TRE-a9136c7b-13
0.370
MAR-TRE-a9136c7b-55
0.369
MAR-TRE-be9ff7d2-48
0.367
MAR-TRE-a9136c7b-70
0.365
MAR-TRE-799db12b-15
0.365
MAR-TRE-799db12b-78
0.364
MAR-TRE-92684b97-12
0.363
MAR-TRE-66ac689e-23
0.362
MAR-TRE-be9ff7d2-49
0.362
MAR-TRE-9d18ae8c-97
0.361
MAR-TRE-9d18ae8c-80
0.360
MAR-TRE-8190bb11-6
0.360
MAR-TRE-85681e92-91
0.359
MAR-TRE-9d18ae8c-85
0.358
MAR-TRE-9d18ae8c-87
0.358
MAR-TRE-799db12b-41
0.358
MAR-TRE-66ac689e-68
0.357
MAR-TRE-66ac689e-98
0.357
MAR-TRE-8190bb11-77
0.357
MAR-TRE-c317dd82-44
0.356
MAR-TRE-a9136c7b-62
0.356
MAR-TRE-be9ff7d2-93
0.353
MAR-TRE-66ac689e-71
0.353
MAR-TRE-9d18ae8c-99
0.353
MAR-TRE-e82e6c98-34
0.353
MAR-TRE-a9136c7b-74
0.352
MAR-TRE-66ac689e-89
0.352
MAR-TRE-799db12b-36
0.352
MAR-TRE-c317dd82-38
0.351
MAR-TRE-c317dd82-48
0.351
MAR-TRE-c317dd82-96
0.350
MAR-TRE-92684b97-87
0.350
MAR-TRE-66ac689e-66
0.349
MAR-TRE-8190bb11-17
0.348