Molecular Properties | |
SMILES: | CC(C)c1ccc2c(c1)C(NC(=O)c1cncnc1)C(=O)N2 |
MW: | 296.13 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 83.98 |
cLogP: | 2.02 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-4f781e27-59
0.398
MAR-TRE-a9136c7b-19
0.360
MAR-TRE-9d18ae8c-59
0.346
MAR-TRE-799db12b-100
0.345
MAR-TRE-c317dd82-88
0.338
MAR-TRE-c317dd82-8
0.333
MAR-TRE-4f781e27-92
0.326
MAR-TRE-e82e6c98-69
0.323
MAR-TRE-a9136c7b-95
0.322
MAR-TRE-a9136c7b-88
0.319
MAR-TRE-92684b97-37
0.318
MAR-TRE-92684b97-28
0.318
MAR-TRE-92684b97-20
0.318
MAR-TRE-799db12b-32
0.318
MAR-TRE-9d18ae8c-78
0.317
MAR-TRE-a9136c7b-2
0.315
MAR-TRE-c317dd82-14
0.315
MAR-TRE-799db12b-82
0.315
MAR-TRE-8190bb11-5
0.312
MAR-TRE-a9136c7b-47
0.311
MAR-TRE-9d18ae8c-42
0.310
MAR-TRE-e82e6c98-65
0.310
MAR-TRE-c317dd82-69
0.308
MAR-TRE-be9ff7d2-8
0.308
MAR-TRE-799db12b-16
0.307
MAR-TRE-9d18ae8c-80
0.307
MAR-TRE-66ac689e-72
0.306
MAR-TRE-9d18ae8c-28
0.306
MAR-TRE-a9136c7b-63
0.305
MAR-TRE-8190bb11-28
0.305
MAR-TRE-92684b97-57
0.304
MAR-TRE-c317dd82-80
0.303
MAR-TRE-66ac689e-45
0.303
MAR-TRE-9d18ae8c-60
0.303
MAR-TRE-9d18ae8c-90
0.303
MAR-TRE-a9136c7b-62
0.303
MAR-TRE-a9136c7b-89
0.303
MAR-TRE-c317dd82-44
0.303
MAR-TRE-9d18ae8c-85
0.301
MAR-TRE-92684b97-80
0.301
MAR-TRE-9d18ae8c-21
0.301
MAR-TRE-799db12b-36
0.301
MAR-TRE-e82e6c98-78
0.300
MAR-TRE-a9136c7b-64
0.300
MAR-TRE-4f781e27-79
0.300
MAR-TRE-92684b97-94
0.300
MAR-TRE-a9136c7b-74
0.300
MAR-TRE-799db12b-73
0.299
MAR-TRE-66ac689e-27
0.299
MAR-TRE-66ac689e-71
0.299
MAR-TRE-66ac689e-22
0.299
MAR-TRE-799db12b-45
0.298
MAR-TRE-799db12b-49
0.298
MAR-TRE-c317dd82-46
0.298
MAR-TRE-66ac689e-3
0.298
MAR-TRE-8190bb11-72
0.298
MAR-TRE-799db12b-61
0.298
MAR-TRE-8190bb11-97
0.298
MAR-TRE-8190bb11-93
0.297
MAR-TRE-be9ff7d2-64
0.295
MAR-TRE-c317dd82-41
0.295
MAR-TRE-8190bb11-75
0.295
MAR-TRE-e82e6c98-81
0.294
MAR-TRE-be9ff7d2-42
0.294
MAR-TRE-c317dd82-18
0.294
MAR-TRE-c317dd82-89
0.293
MAR-TRE-92684b97-2
0.293
MAR-TRE-c317dd82-96
0.293
MAR-TRE-92684b97-56
0.293
MAR-TRE-92684b97-87
0.293
MAR-TRE-8190bb11-71
0.293
MAR-TRE-799db12b-94
0.291
MAR-TRE-92684b97-39
0.291
MAR-TRE-9d18ae8c-25
0.291
MAR-TRE-9d18ae8c-40
0.291
MAR-TRE-92684b97-7
0.291
MAR-TRE-799db12b-55
0.291
MAR-TRE-be9ff7d2-53
0.290
MAR-TRE-66ac689e-57
0.289
MAR-TRE-be9ff7d2-49
0.289
MAR-TRE-e82e6c98-99
0.289
MAR-TRE-a9136c7b-59
0.289
MAR-TRE-9d18ae8c-38
0.289
MAR-TRE-799db12b-79
0.287
MAR-TRE-8190bb11-41
0.287
MAR-TRE-4f781e27-45
0.287
MAR-TRE-9d18ae8c-74
0.287
MAR-TRE-be9ff7d2-22
0.287
MAR-TRE-66ac689e-100
0.287
MAR-TRE-8190bb11-10
0.287
MAR-TRE-c317dd82-3
0.286
MAR-TRE-8190bb11-47
0.286
MAR-TRE-9d18ae8c-87
0.286
MAR-TRE-8190bb11-65
0.286
MAR-TRE-66ac689e-87
0.286
MAR-TRE-8190bb11-11
0.286
MAR-TRE-e82e6c98-96
0.284
MAR-TRE-c317dd82-34
0.284
MAR-TRE-66ac689e-84
0.284
MAR-TRE-9d18ae8c-2
0.284