Molecular Properties | |
SMILES: | Cc1c(C2CNCC2C(=O)NC(=O)c2cncnc2)cnn1C |
MW: | 314.15 |
Fraction sp3: | 0.4 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 101.8 |
cLogP: | -0.22 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
phthalimide
MAR-TRE-c317dd82-54
0.609
MAR-TRE-c317dd82-72
0.603
MAR-TRE-be9ff7d2-87
0.597
MAR-TRE-c317dd82-57
0.592
MAR-TRE-c317dd82-64
0.589
MAR-TRE-c317dd82-61
0.560
MAR-TRE-92684b97-38
0.549
MAR-TRE-e82e6c98-94
0.493
MAR-TRE-e82e6c98-59
0.481
MAR-TRE-e82e6c98-17
0.451
MAR-TRE-e82e6c98-82
0.417
MAR-TRE-e82e6c98-73
0.396
MAR-TRE-e82e6c98-84
0.389
MAR-TRE-c317dd82-9
0.388
MAR-TRE-c317dd82-99
0.383
MAR-TRE-be9ff7d2-74
0.373
MAR-TRE-66ac689e-96
0.353
MAR-TRE-be9ff7d2-25
0.350
MAR-TRE-be9ff7d2-94
0.346
MAR-TRE-a9136c7b-44
0.345
MAR-TRE-e82e6c98-100
0.341
MAR-TRE-be9ff7d2-38
0.338
MAR-TRE-8190bb11-79
0.337
MAR-TRE-92684b97-61
0.337
MAR-TRE-a9136c7b-72
0.330
MAR-TRE-c317dd82-30
0.330
MAR-TRE-c317dd82-93
0.329
MAR-TRE-c317dd82-34
0.329
MAR-TRE-92684b97-79
0.322
MAR-TRE-92684b97-57
0.321
MAR-TRE-c317dd82-5
0.319
MAR-TRE-e82e6c98-10
0.315
MAR-TRE-e82e6c98-19
0.313
MAR-TRE-e82e6c98-30
0.312
MAR-TRE-be9ff7d2-71
0.311
MAR-TRE-e82e6c98-28
0.310
MAR-TRE-e82e6c98-22
0.310
MAR-TRE-9d18ae8c-23
0.308
MAR-TRE-be9ff7d2-77
0.308
MAR-TRE-e82e6c98-26
0.305
MAR-TRE-e82e6c98-72
0.305
MAR-TRE-be9ff7d2-31
0.305
MAR-TRE-c317dd82-60
0.304
MAR-TRE-be9ff7d2-47
0.304
MAR-TRE-8190bb11-46
0.303
MAR-TRE-e82e6c98-29
0.302
MAR-TRE-be9ff7d2-41
0.301
MAR-TRE-66ac689e-60
0.301
MAR-TRE-e82e6c98-40
0.300
MAR-TRE-e82e6c98-49
0.298
MAR-TRE-c317dd82-73
0.298
MAR-TRE-e82e6c98-68
0.296
MAR-TRE-67513f76-20
0.295
MAR-TRE-e82e6c98-60
0.295
MAR-TRE-c317dd82-21
0.295
MAR-TRE-be9ff7d2-52
0.295
MAR-TRE-c317dd82-18
0.294
MAR-TRE-be9ff7d2-44
0.294
MAR-TRE-be9ff7d2-69
0.294
MAR-TRE-e82e6c98-81
0.294
MAR-TRE-a9136c7b-95
0.293
MAR-TRE-e82e6c98-7
0.293
MAR-TRE-92684b97-52
0.293
MAR-TRE-be9ff7d2-88
0.293
MAR-TRE-c317dd82-78
0.292
MAR-TRE-92684b97-39
0.291
MAR-TRE-c317dd82-92
0.291
MAR-TRE-9d18ae8c-71
0.289
MAR-TRE-e82e6c98-80
0.289
MAR-TRE-9d18ae8c-38
0.289
MAR-TRE-be9ff7d2-92
0.289
MAR-TRE-c317dd82-44
0.289
MAR-TRE-c317dd82-88
0.287
MAR-TRE-e82e6c98-12
0.287
MAR-TRE-c317dd82-2
0.287
MAR-TRE-e82e6c98-62
0.287
MAR-TRE-c317dd82-17
0.287
MAR-TRE-8190bb11-96
0.286
MAR-TRE-9c797165-35
0.286
MAR-TRE-c317dd82-14
0.286
MAR-TRE-be9ff7d2-24
0.286
MAR-TRE-e82e6c98-96
0.284
MAR-TRE-e82e6c98-44
0.284
MAR-TRE-8190bb11-33
0.284
MAR-TRE-4f781e27-58
0.284
MAR-TRE-e82e6c98-35
0.284
MAR-TRE-be9ff7d2-33
0.283
MAR-TRE-a9136c7b-96
0.283
MAR-TRE-4f781e27-18
0.283
MAR-TRE-be9ff7d2-51
0.283
MAR-TRE-a9136c7b-47
0.283
MAR-TRE-66ac689e-59
0.282
MAR-TRE-be9ff7d2-67
0.282
MAR-TRE-7f7bb9f0-12
0.281
MAR-TRE-c317dd82-51
0.281
MAR-TRE-be9ff7d2-50
0.281
MAR-TRE-be9ff7d2-97
0.281
MAR-TRE-66ac689e-20
0.281
MAR-TRE-92684b97-11
0.279
MAR-TRE-e82e6c98-65
0.279