Molecular Properties | |
SMILES: | Cc1nn(C)c2c1C(C(=O)NC(=O)c1cncnc1)CNC2 |
MW: | 300.13 |
Fraction sp3: | 0.36 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 101.8 |
cLogP: | -0.34 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
phthalimide
MAR-TRE-c317dd82-15
0.451
MAR-TRE-c317dd82-57
0.432
MAR-TRE-c317dd82-54
0.407
MAR-TRE-c317dd82-64
0.400
MAR-TRE-c317dd82-72
0.395
MAR-TRE-e82e6c98-94
0.395
MAR-TRE-c317dd82-61
0.379
MAR-TRE-e82e6c98-59
0.379
MAR-TRE-be9ff7d2-74
0.377
MAR-TRE-be9ff7d2-87
0.370
MAR-TRE-92684b97-38
0.361
MAR-TRE-c317dd82-99
0.353
MAR-TRE-c317dd82-9
0.341
MAR-TRE-92684b97-61
0.341
MAR-TRE-e82e6c98-73
0.340
MAR-TRE-c317dd82-30
0.333
MAR-TRE-9d18ae8c-23
0.326
MAR-TRE-66ac689e-96
0.326
MAR-TRE-8190bb11-79
0.326
MAR-TRE-c317dd82-5
0.323
MAR-TRE-a9136c7b-44
0.319
MAR-TRE-c317dd82-93
0.318
MAR-TRE-be9ff7d2-94
0.317
MAR-TRE-c317dd82-17
0.317
MAR-TRE-e82e6c98-100
0.314
MAR-TRE-92684b97-79
0.311
MAR-TRE-be9ff7d2-47
0.309
MAR-TRE-be9ff7d2-25
0.306
MAR-TRE-c317dd82-2
0.305
MAR-TRE-c317dd82-73
0.302
MAR-TRE-e82e6c98-30
0.301
MAR-TRE-c317dd82-21
0.300
MAR-TRE-be9ff7d2-44
0.299
MAR-TRE-66ac689e-15
0.299
MAR-TRE-e82e6c98-82
0.298
MAR-TRE-c317dd82-78
0.296
MAR-TRE-be9ff7d2-31
0.294
MAR-TRE-be9ff7d2-38
0.294
MAR-TRE-e82e6c98-84
0.293
MAR-TRE-66ac689e-60
0.292
MAR-TRE-be9ff7d2-55
0.290
MAR-TRE-be9ff7d2-71
0.287
MAR-TRE-be9ff7d2-97
0.286
MAR-TRE-e82e6c98-7
0.282
MAR-TRE-a9136c7b-72
0.282
MAR-TRE-be9ff7d2-92
0.280
MAR-TRE-e82e6c98-5
0.280
MAR-TRE-e82e6c98-98
0.280
MAR-TRE-be9ff7d2-27
0.280
MAR-TRE-e82e6c98-26
0.279
MAR-TRE-e82e6c98-72
0.279
MAR-TRE-e82e6c98-62
0.278
MAR-TRE-4f781e27-90
0.278
MAR-TRE-66ac689e-100
0.278
MAR-TRE-92684b97-57
0.277
MAR-TRE-e82e6c98-10
0.277
MAR-TRE-c317dd82-97
0.277
MAR-TRE-9d18ae8c-64
0.276
MAR-TRE-e82e6c98-56
0.275
MAR-TRE-e82e6c98-19
0.273
MAR-TRE-e82e6c98-28
0.272
MAR-TRE-be9ff7d2-50
0.272
MAR-TRE-a9136c7b-50
0.270
MAR-TRE-e82e6c98-22
0.270
MAR-TRE-92684b97-95
0.270
MAR-TRE-a9136c7b-77
0.269
MAR-TRE-a9136c7b-93
0.269
MAR-TRE-8190bb11-63
0.269
MAR-TRE-92684b97-62
0.269
MAR-TRE-e82e6c98-31
0.269
MAR-TRE-e82e6c98-93
0.269
MAR-TRE-be9ff7d2-14
0.269
MAR-TRE-799db12b-8
0.268
MAR-TRE-c317dd82-60
0.268
MAR-TRE-c317dd82-85
0.268
MAR-TRE-be9ff7d2-88
0.267
MAR-TRE-92684b97-87
0.267
MAR-TRE-e82e6c98-4
0.267
MAR-TRE-e82e6c98-32
0.267
MAR-TRE-92684b97-39
0.267
MAR-TRE-9d18ae8c-97
0.267
MAR-TRE-8190bb11-46
0.266
MAR-TRE-92684b97-28
0.266
MAR-TRE-be9ff7d2-29
0.266
MAR-TRE-e82e6c98-92
0.265
MAR-TRE-c317dd82-83
0.265
MAR-TRE-799db12b-98
0.265
MAR-TRE-92684b97-74
0.264
MAR-TRE-e82e6c98-80
0.264
MAR-TRE-8190bb11-82
0.264
MAR-TRE-e82e6c98-66
0.264
MAR-TRE-8190bb11-49
0.264
MAR-TRE-4f781e27-38
0.263
MAR-TRE-4f781e27-89
0.263
MAR-TRE-a9136c7b-18
0.263
MAR-TRE-c317dd82-88
0.262
MAR-TRE-4f781e27-25
0.261
MAR-TRE-92684b97-26
0.261
MAR-TRE-66ac689e-6
0.261
MAR-TRE-66ac689e-85
0.261