Molecular Properties | |
SMILES: | COc1cc2c(cc1F)CCC2NC(=O)c1cncnc1 |
MW: | 287.11 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 64.11 |
cLogP: | 2.04 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-92684b97-7
0.569
MAR-TRE-92684b97-20
0.425
MAR-TRE-be9ff7d2-62
0.414
MAR-TRE-9d18ae8c-90
0.405
MAR-TRE-c317dd82-14
0.400
MAR-TRE-8190bb11-95
0.398
MAR-TRE-9d18ae8c-38
0.372
MAR-TRE-e82e6c98-33
0.371
MAR-TRE-e82e6c98-81
0.366
MAR-TRE-92684b97-57
0.364
MAR-TRE-799db12b-79
0.357
MAR-TRE-be9ff7d2-69
0.349
MAR-TRE-c317dd82-3
0.347
MAR-TRE-c317dd82-44
0.341
MAR-TRE-92684b97-28
0.341
MAR-TRE-4f781e27-79
0.337
MAR-TRE-a9136c7b-2
0.337
MAR-TRE-e82e6c98-86
0.337
MAR-TRE-be9ff7d2-28
0.333
MAR-TRE-e82e6c98-53
0.333
MAR-TRE-799db12b-92
0.333
MAR-TRE-e82e6c98-65
0.333
MAR-TRE-8190bb11-42
0.329
MAR-TRE-c317dd82-88
0.329
MAR-TRE-92684b97-32
0.326
MAR-TRE-8190bb11-18
0.326
MAR-TRE-799db12b-7
0.326
MAR-TRE-8190bb11-49
0.326
MAR-TRE-e82e6c98-78
0.322
MAR-TRE-66ac689e-87
0.322
MAR-TRE-be9ff7d2-86
0.322
MAR-TRE-c317dd82-46
0.321
MAR-TRE-be9ff7d2-3
0.321
MAR-TRE-9d18ae8c-93
0.321
MAR-TRE-be9ff7d2-75
0.319
MAR-TRE-8190bb11-75
0.316
MAR-TRE-c317dd82-89
0.315
MAR-TRE-92684b97-62
0.315
MAR-TRE-92684b97-39
0.314
MAR-TRE-a9136c7b-81
0.314
MAR-TRE-66ac689e-86
0.313
MAR-TRE-a9136c7b-63
0.312
MAR-TRE-a9136c7b-27
0.312
MAR-TRE-9d18ae8c-86
0.312
MAR-TRE-be9ff7d2-53
0.312
MAR-TRE-a9136c7b-98
0.310
MAR-TRE-799db12b-32
0.310
MAR-TRE-c317dd82-8
0.310
MAR-TRE-9d18ae8c-78
0.310
MAR-TRE-9d18ae8c-96
0.308
MAR-TRE-92684b97-84
0.308
MAR-TRE-c317dd82-77
0.307
MAR-TRE-e82e6c98-56
0.307
MAR-TRE-4f781e27-58
0.307
MAR-TRE-9d18ae8c-99
0.307
MAR-TRE-c317dd82-82
0.306
MAR-TRE-a9136c7b-92
0.306
MAR-TRE-c317dd82-73
0.306
MAR-TRE-92684b97-77
0.306
MAR-TRE-9d18ae8c-72
0.305
MAR-TRE-9d18ae8c-76
0.305
MAR-TRE-66ac689e-11
0.304
MAR-TRE-be9ff7d2-64
0.303
MAR-TRE-a9136c7b-49
0.303
MAR-TRE-799db12b-77
0.303
MAR-TRE-8190bb11-78
0.302
MAR-TRE-be9ff7d2-42
0.302
MAR-TRE-66ac689e-13
0.302
MAR-TRE-8190bb11-36
0.302
MAR-TRE-66ac689e-99
0.301
MAR-TRE-be9ff7d2-30
0.300
MAR-TRE-4f781e27-56
0.300
MAR-TRE-c317dd82-65
0.299
MAR-TRE-66ac689e-79
0.299
MAR-TRE-c317dd82-76
0.299
MAR-TRE-799db12b-29
0.299
MAR-TRE-799db12b-55
0.299
MAR-TRE-4f781e27-22
0.299
MAR-TRE-92684b97-83
0.299
MAR-TRE-c317dd82-80
0.297
MAR-TRE-be9ff7d2-81
0.297
MAR-TRE-92684b97-73
0.297
MAR-TRE-e82e6c98-21
0.296
MAR-TRE-a9136c7b-91
0.295
MAR-TRE-4f781e27-9
0.295
MAR-TRE-8190bb11-57
0.294
MAR-TRE-e82e6c98-76
0.294
MAR-TRE-799db12b-41
0.294
MAR-TRE-8190bb11-67
0.293
MAR-TRE-e82e6c98-41
0.293
MAR-TRE-799db12b-5
0.292
MAR-TRE-66ac689e-63
0.292
MAR-TRE-c317dd82-34
0.292
MAR-TRE-e82e6c98-44
0.292
MAR-TRE-e82e6c98-58
0.292
MAR-TRE-8190bb11-92
0.292
MAR-TRE-a9136c7b-9
0.292
MAR-TRE-e82e6c98-96
0.292
MAR-TRE-66ac689e-69
0.292
MAR-TRE-e82e6c98-71
0.291