Molecular Properties | |
SMILES: | COc1ccc2c(c1)CC(C)CC2NC(=O)c1cncnc1 |
MW: | 297.15 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 64.11 |
cLogP: | 2.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-c317dd82-14
0.444
MAR-TRE-4f781e27-79
0.427
MAR-TRE-be9ff7d2-62
0.407
MAR-TRE-4f781e27-18
0.405
MAR-TRE-c317dd82-44
0.398
MAR-TRE-92684b97-14
0.390
MAR-TRE-9d18ae8c-13
0.388
MAR-TRE-799db12b-92
0.386
MAR-TRE-4f781e27-35
0.386
MAR-TRE-8190bb11-77
0.383
MAR-TRE-92684b97-73
0.381
MAR-TRE-92684b97-77
0.380
MAR-TRE-92684b97-4
0.379
MAR-TRE-8190bb11-58
0.378
MAR-TRE-66ac689e-97
0.373
MAR-TRE-66ac689e-93
0.370
MAR-TRE-92684b97-7
0.370
MAR-TRE-92684b97-29
0.369
MAR-TRE-a9136c7b-98
0.366
MAR-TRE-66ac689e-98
0.366
MAR-TRE-92684b97-28
0.365
MAR-TRE-e82e6c98-33
0.364
MAR-TRE-c317dd82-46
0.362
MAR-TRE-8190bb11-70
0.360
MAR-TRE-4f781e27-37
0.357
MAR-TRE-799db12b-90
0.356
MAR-TRE-66ac689e-23
0.354
MAR-TRE-4f781e27-56
0.353
MAR-TRE-8190bb11-75
0.352
MAR-TRE-9d18ae8c-78
0.350
MAR-TRE-799db12b-41
0.350
MAR-TRE-92684b97-20
0.349
MAR-TRE-8190bb11-38
0.349
MAR-TRE-799db12b-87
0.349
MAR-TRE-9d18ae8c-86
0.348
MAR-TRE-be9ff7d2-95
0.348
MAR-TRE-e82e6c98-86
0.344
MAR-TRE-a9136c7b-2
0.344
MAR-TRE-c317dd82-38
0.344
MAR-TRE-8190bb11-95
0.341
MAR-TRE-be9ff7d2-64
0.341
MAR-TRE-4f781e27-20
0.341
MAR-TRE-a9136c7b-78
0.341
MAR-TRE-a9136c7b-5
0.341
MAR-TRE-a9136c7b-9
0.341
MAR-TRE-799db12b-19
0.341
MAR-TRE-66ac689e-69
0.341
MAR-TRE-c317dd82-88
0.338
MAR-TRE-66ac689e-57
0.338
MAR-TRE-e82e6c98-14
0.337
MAR-TRE-92684b97-92
0.337
MAR-TRE-92684b97-1
0.333
MAR-TRE-e82e6c98-76
0.333
MAR-TRE-92684b97-32
0.333
MAR-TRE-9d18ae8c-19
0.330
MAR-TRE-9d18ae8c-24
0.330
MAR-TRE-be9ff7d2-73
0.330
MAR-TRE-8190bb11-67
0.330
MAR-TRE-66ac689e-18
0.329
MAR-TRE-92684b97-12
0.326
MAR-TRE-a9136c7b-69
0.326
MAR-TRE-799db12b-80
0.326
MAR-TRE-799db12b-47
0.325
MAR-TRE-799db12b-84
0.325
MAR-TRE-e82e6c98-81
0.325
MAR-TRE-e82e6c98-65
0.325
MAR-TRE-be9ff7d2-7
0.323
MAR-TRE-a9136c7b-95
0.322
MAR-TRE-799db12b-29
0.321
MAR-TRE-799db12b-94
0.321
MAR-TRE-799db12b-46
0.321
MAR-TRE-be9ff7d2-49
0.321
MAR-TRE-92684b97-57
0.321
MAR-TRE-9d18ae8c-38
0.318
MAR-TRE-799db12b-7
0.318
MAR-TRE-a9136c7b-91
0.318
MAR-TRE-4f781e27-9
0.315
MAR-TRE-799db12b-28
0.315
MAR-TRE-66ac689e-63
0.314
MAR-TRE-799db12b-50
0.314
MAR-TRE-9d18ae8c-72
0.312
MAR-TRE-e82e6c98-96
0.312
MAR-TRE-9d18ae8c-36
0.311
MAR-TRE-a9136c7b-96
0.311
MAR-TRE-8190bb11-78
0.310
MAR-TRE-be9ff7d2-42
0.310
MAR-TRE-a9136c7b-90
0.307
MAR-TRE-799db12b-31
0.307
MAR-TRE-be9ff7d2-30
0.307
MAR-TRE-4f781e27-14
0.306
MAR-TRE-a9136c7b-63
0.305
MAR-TRE-c317dd82-5
0.304
MAR-TRE-be9ff7d2-53
0.304
MAR-TRE-9d18ae8c-98
0.303
MAR-TRE-8190bb11-46
0.303
MAR-TRE-a9136c7b-59
0.303
MAR-TRE-4f781e27-16
0.302
MAR-TRE-8190bb11-49
0.302
MAR-TRE-e82e6c98-84
0.302
MAR-TRE-9d18ae8c-15
0.301