Molecular Properties | |
SMILES: | CC1(NC(=O)c2cncnc2)CCOc2ccccc21 |
MW: | 269.12 |
Fraction sp3: | 0.27 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 64.11 |
cLogP: | 1.9 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-66ac689e-90
0.562
MAR-TRE-9d18ae8c-42
0.421
MAR-TRE-4f781e27-33
0.408
MAR-TRE-9d18ae8c-68
0.378
MAR-TRE-a9136c7b-27
0.372
MAR-TRE-e82e6c98-83
0.372
MAR-TRE-4f781e27-21
0.368
MAR-TRE-9d18ae8c-27
0.366
MAR-TRE-8190bb11-20
0.366
MAR-TRE-9d18ae8c-32
0.365
MAR-TRE-9d18ae8c-96
0.361
MAR-TRE-e82e6c98-55
0.359
MAR-TRE-be9ff7d2-66
0.358
MAR-TRE-92684b97-45
0.357
MAR-TRE-9d18ae8c-72
0.355
MAR-TRE-92684b97-19
0.354
MAR-TRE-9d18ae8c-39
0.351
MAR-TRE-799db12b-88
0.349
MAR-TRE-799db12b-54
0.349
MAR-TRE-9d18ae8c-61
0.347
MAR-TRE-c317dd82-62
0.345
MAR-TRE-be9ff7d2-79
0.345
MAR-TRE-66ac689e-5
0.345
MAR-TRE-e82e6c98-41
0.342
MAR-TRE-e82e6c98-66
0.341
MAR-TRE-a9136c7b-97
0.341
MAR-TRE-9d18ae8c-95
0.338
BRU-THA-a358fbdd-2
0.333
MAR-TRE-be9ff7d2-76
0.333
MAR-TRE-66ac689e-35
0.333
MAR-TRE-92684b97-76
0.333
MAR-TRE-92684b97-95
0.333
MAR-TRE-c317dd82-90
0.329
MAR-TRE-e82e6c98-1
0.329
MAR-TRE-c317dd82-53
0.329
MAR-TRE-be9ff7d2-2
0.326
MAR-TRE-799db12b-20
0.325
MAR-TRE-a9136c7b-74
0.322
MAR-TRE-799db12b-59
0.322
MAR-TRE-66ac689e-83
0.321
MAR-TRE-799db12b-53
0.321
MAR-TRE-9d18ae8c-76
0.321
MAR-TRE-8190bb11-19
0.318
MAR-TRE-92684b97-31
0.318
MAR-TRE-9d18ae8c-33
0.317
MAR-TRE-c317dd82-68
0.316
BRU-THA-a358fbdd-6
0.315
MAR-TRE-4f781e27-35
0.314
MAR-TRE-66ac689e-96
0.314
MAR-TRE-c317dd82-100
0.313
MAR-TRE-66ac689e-30
0.313
MAR-TRE-9d18ae8c-71
0.312
MAR-TRE-e82e6c98-94
0.312
MAR-TRE-92684b97-4
0.311
MAR-TRE-66ac689e-7
0.310
MAR-TRE-66ac689e-67
0.310
MAR-TRE-be9ff7d2-54
0.310
MAR-TRE-92684b97-73
0.310
MAR-TRE-9d18ae8c-78
0.309
MAR-TRE-4f781e27-53
0.304
MAR-TRE-66ac689e-36
0.303
MAR-TRE-92684b97-23
0.303
MAR-TRE-799db12b-74
0.301
MAR-TRE-92684b97-38
0.301
MAR-TRE-8190bb11-51
0.301
MAR-TRE-4f781e27-40
0.301
BRU-THA-a358fbdd-1
0.301
MAR-TRE-a9136c7b-37
0.301
MAR-TRE-92684b97-27
0.300
MAR-TRE-c317dd82-96
0.300
MAR-TRE-8190bb11-100
0.300
MAR-TRE-4f781e27-14
0.298
MAR-TRE-be9ff7d2-57
0.297
MAR-TRE-66ac689e-70
0.296
MAR-TRE-92684b97-17
0.296
MAR-TRE-66ac689e-61
0.295
MAR-TRE-c317dd82-37
0.295
MAR-TRE-be9ff7d2-68
0.294
MAR-TRE-799db12b-38
0.294
MAR-TRE-799db12b-63
0.294
MAR-TRE-8190bb11-56
0.294
MAR-TRE-c317dd82-8
0.293
MAR-TRE-8190bb11-11
0.293
MAR-TRE-e82e6c98-36
0.292
MAR-TRE-e82e6c98-40
0.292
MAR-TRE-a9136c7b-21
0.292
MAR-TRE-c317dd82-75
0.292
MAR-TRE-4f781e27-49
0.291
MAR-TRE-c317dd82-34
0.291
MAR-TRE-c317dd82-40
0.291
MAR-TRE-c317dd82-86
0.291
MAR-TRE-e82e6c98-34
0.291
MAR-TRE-799db12b-45
0.290
MAR-TRE-c317dd82-73
0.289
MAR-TRE-66ac689e-38
0.289
MAR-TRE-e82e6c98-71
0.289
MAR-TRE-c317dd82-25
0.289
MAR-TRE-a9136c7b-96
0.289
MAR-TRE-8190bb11-39
0.289
MAR-TRE-e82e6c98-30
0.287