Molecular Properties | |
SMILES: | CC1CCC(CO)(NC(=O)c2cncnc2)c2ccccc21 |
MW: | 297.15 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 75.11 |
cLogP: | 1.99 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-66ac689e-90
0.513
MAR-TRE-9d18ae8c-68
0.500
MAR-TRE-92684b97-73
0.439
MAR-TRE-9d18ae8c-61
0.419
MAR-TRE-9d18ae8c-42
0.418
MAR-TRE-9d18ae8c-39
0.387
MAR-TRE-9d18ae8c-27
0.381
MAR-TRE-9d18ae8c-76
0.372
MAR-TRE-4f781e27-21
0.367
MAR-TRE-66ac689e-55
0.365
MAR-TRE-9d18ae8c-96
0.360
MAR-TRE-9d18ae8c-72
0.354
MAR-TRE-4f781e27-33
0.354
MAR-TRE-c317dd82-68
0.351
MAR-TRE-92684b97-76
0.349
MAR-TRE-92684b97-61
0.345
MAR-TRE-8190bb11-46
0.341
MAR-TRE-92684b97-28
0.341
MAR-TRE-66ac689e-7
0.341
MAR-TRE-92684b97-37
0.341
MAR-TRE-66ac689e-83
0.337
MAR-TRE-92684b97-52
0.333
MAR-TRE-9d18ae8c-33
0.333
MAR-TRE-66ac689e-35
0.333
MAR-TRE-92684b97-31
0.333
MAR-TRE-4f781e27-35
0.330
MAR-TRE-66ac689e-30
0.329
MAR-TRE-a9136c7b-27
0.326
MAR-TRE-92684b97-45
0.326
MAR-TRE-e82e6c98-41
0.325
MAR-TRE-4f781e27-79
0.322
MAR-TRE-9d18ae8c-95
0.321
MAR-TRE-be9ff7d2-76
0.318
MAR-TRE-92684b97-38
0.318
MAR-TRE-92684b97-95
0.318
MAR-TRE-be9ff7d2-79
0.315
MAR-TRE-66ac689e-70
0.313
MAR-TRE-be9ff7d2-74
0.312
MAR-TRE-c317dd82-88
0.312
MAR-TRE-92684b97-4
0.312
MAR-TRE-be9ff7d2-68
0.310
MAR-TRE-92684b97-26
0.310
MAR-TRE-e82e6c98-55
0.310
MAR-TRE-8190bb11-65
0.310
MAR-TRE-4f781e27-49
0.309
MAR-TRE-e82e6c98-40
0.308
MAR-TRE-92684b97-19
0.307
MAR-TRE-e82e6c98-83
0.306
MAR-TRE-a9136c7b-47
0.304
MAR-TRE-8190bb11-20
0.303
MAR-TRE-799db12b-54
0.303
MAR-TRE-66ac689e-97
0.303
MAR-TRE-e82e6c98-65
0.302
MAR-TRE-c317dd82-31
0.300
MAR-TRE-4f781e27-4
0.300
MAR-TRE-799db12b-89
0.300
MAR-TRE-66ac689e-5
0.300
MAR-TRE-9d18ae8c-79
0.300
MAR-TRE-e82e6c98-1
0.299
MAR-TRE-4f781e27-22
0.299
MAR-TRE-92684b97-39
0.299
MAR-TRE-be9ff7d2-2
0.298
MAR-TRE-799db12b-51
0.298
MAR-TRE-4f781e27-32
0.298
MAR-TRE-8190bb11-62
0.298
MAR-TRE-9d18ae8c-71
0.298
MAR-TRE-be9ff7d2-81
0.297
MAR-TRE-9d18ae8c-81
0.297
MAR-TRE-a9136c7b-97
0.297
MAR-TRE-66ac689e-67
0.297
MAR-TRE-92684b97-57
0.296
MAR-TRE-e82e6c98-66
0.295
MAR-TRE-8190bb11-49
0.295
MAR-TRE-4f781e27-54
0.295
MAR-TRE-be9ff7d2-66
0.295
MAR-TRE-8190bb11-41
0.295
MAR-TRE-8190bb11-56
0.295
MAR-TRE-a9136c7b-86
0.295
MAR-TRE-799db12b-65
0.295
MAR-TRE-66ac689e-88
0.294
MAR-TRE-9d18ae8c-15
0.294
MAR-TRE-9d18ae8c-87
0.294
MAR-TRE-9d18ae8c-31
0.294
MAR-TRE-8190bb11-11
0.294
MAR-TRE-9d18ae8c-78
0.294
MAR-TRE-92684b97-51
0.294
MAR-TRE-92684b97-5
0.293
MAR-TRE-799db12b-59
0.293
MAR-TRE-c317dd82-75
0.293
MAR-TRE-8190bb11-85
0.293
MAR-TRE-8190bb11-91
0.293
MAR-TRE-4f781e27-76
0.292
MAR-TRE-9d18ae8c-2
0.292
MAR-TRE-e82e6c98-56
0.292
MAR-TRE-4f781e27-100
0.292
MAR-TRE-66ac689e-73
0.292
MAR-TRE-a9136c7b-5
0.292
MAR-TRE-c317dd82-82
0.291
MAR-TRE-92684b97-43
0.290
MAR-TRE-4f781e27-48
0.290