Molecular Properties | |
SMILES: | Cn1ccnc1C1CNCC1C(=O)NC(=O)c1cncnc1 |
MW: | 300.13 |
Fraction sp3: | 0.36 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 101.8 |
cLogP: | -0.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
acyclic_imide
phthalimide
MAR-TRE-c317dd82-54
0.623
MAR-TRE-c317dd82-57
0.606
MAR-TRE-c317dd82-72
0.595
MAR-TRE-c317dd82-64
0.581
MAR-TRE-c317dd82-15
0.560
MAR-TRE-92684b97-38
0.542
MAR-TRE-be9ff7d2-87
0.531
MAR-TRE-e82e6c98-59
0.494
MAR-TRE-e82e6c98-94
0.486
MAR-TRE-be9ff7d2-100
0.396
MAR-TRE-c317dd82-9
0.383
MAR-TRE-e82e6c98-17
0.379
MAR-TRE-c317dd82-99
0.378
MAR-TRE-be9ff7d2-94
0.377
MAR-TRE-e82e6c98-73
0.376
MAR-TRE-be9ff7d2-74
0.368
MAR-TRE-8190bb11-79
0.349
MAR-TRE-66ac689e-56
0.349
MAR-TRE-be9ff7d2-77
0.348
MAR-TRE-66ac689e-85
0.341
MAR-TRE-67513f76-20
0.337
MAR-TRE-92684b97-79
0.333
MAR-TRE-66ac689e-96
0.333
MAR-TRE-8190bb11-89
0.333
MAR-TRE-8190bb11-8
0.330
MAR-TRE-be9ff7d2-25
0.329
MAR-TRE-9c797165-35
0.326
MAR-TRE-a9136c7b-44
0.326
MAR-TRE-c317dd82-30
0.326
MAR-TRE-799db12b-28
0.326
MAR-TRE-c317dd82-93
0.326
MAR-TRE-e82e6c98-49
0.323
MAR-TRE-e82e6c98-96
0.323
MAR-TRE-a9136c7b-35
0.322
MAR-TRE-8190bb11-93
0.322
MAR-TRE-be9ff7d2-43
0.321
MAR-TRE-be9ff7d2-44
0.321
MAR-TRE-92684b97-61
0.318
MAR-TRE-e82e6c98-72
0.317
MAR-TRE-a9136c7b-52
0.315
MAR-TRE-a9136c7b-72
0.313
MAR-TRE-c317dd82-20
0.313
MAR-TRE-66ac689e-60
0.312
MAR-TRE-66ac689e-59
0.310
MAR-TRE-e82e6c98-30
0.309
MAR-TRE-be9ff7d2-75
0.309
MAR-TRE-799db12b-19
0.309
MAR-TRE-c317dd82-21
0.308
MAR-TRE-e82e6c98-60
0.307
MAR-TRE-e82e6c98-28
0.307
MAR-TRE-be9ff7d2-33
0.306
MAR-TRE-e82e6c98-22
0.306
MAR-TRE-7f7bb9f0-12
0.305
MAR-TRE-be9ff7d2-52
0.305
MAR-TRE-be9ff7d2-96
0.303
MAR-TRE-c317dd82-92
0.302
MAR-TRE-e82e6c98-26
0.301
MAR-TRE-be9ff7d2-38
0.301
MAR-TRE-c317dd82-5
0.301
MAR-TRE-c317dd82-60
0.301
MAR-TRE-8190bb11-46
0.300
MAR-TRE-c317dd82-80
0.300
MAR-TRE-92684b97-57
0.300
MAR-TRE-be9ff7d2-47
0.300
MAR-TRE-7f7bb9f0-15
0.299
MAR-TRE-c317dd82-2
0.298
MAR-TRE-c317dd82-17
0.297
MAR-TRE-e82e6c98-10
0.297
MAR-TRE-be9ff7d2-24
0.296
MAR-TRE-c317dd82-34
0.295
MAR-TRE-e82e6c98-19
0.294
MAR-TRE-be9ff7d2-71
0.293
MAR-TRE-a9136c7b-47
0.293
MAR-TRE-66ac689e-20
0.292
MAR-TRE-c317dd82-51
0.292
MAR-TRE-be9ff7d2-42
0.291
MAR-TRE-e82e6c98-81
0.291
MAR-TRE-e82e6c98-65
0.291
MAR-TRE-c317dd82-69
0.290
MAR-TRE-e82e6c98-82
0.290
MAR-TRE-9d18ae8c-23
0.290
MAR-TRE-a9136c7b-95
0.290
MAR-TRE-e82e6c98-7
0.289
MAR-TRE-92684b97-52
0.289
MAR-TRE-be9ff7d2-88
0.289
MAR-TRE-e82e6c98-47
0.289
MAR-TRE-be9ff7d2-30
0.289
MAR-TRE-e82e6c98-31
0.289
MAR-TRE-a9136c7b-77
0.289
MAR-TRE-c317dd82-78
0.289
MAR-TRE-be9ff7d2-17
0.287
MAR-TRE-4f781e27-22
0.287
MAR-TRE-92684b97-83
0.287
MAR-TRE-be9ff7d2-92
0.286
MAR-TRE-e82e6c98-64
0.286
MAR-TRE-e82e6c98-84
0.286
MAR-TRE-e82e6c98-32
0.286
MAR-TRE-e82e6c98-80
0.286
MAR-TRE-66ac689e-31
0.286
MAR-TRE-66ac689e-67
0.286