Molecular Properties | |
SMILES: | Cc1ccc(Cn2c(=O)n(CCNC(=O)c3cccc(C#N)c3)c3ncccc32)cc1 |
MW: | 411.17 |
Fraction sp3: | 0.17 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 92.71 |
cLogP: | 2.86 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9518861963 |
MolPort: | MolPort-028-859-200 |
MAR-TRE-04c86cea-54
0.830
MAR-TRE-04c86cea-14
0.807
MAR-TRE-f6f5f473-41
0.783
MAR-TRE-74c6519b-59
0.628
MAR-TRE-f6f5f473-93
0.619
MAR-TRE-f6f5f473-61
0.580
MAR-TRE-3e4e6814-71
0.566
MAR-TRE-3e4e6814-70
0.564
MAR-TRE-3e4e6814-64
0.525
MAR-TRE-04c86cea-88
0.467
MAR-TRE-d0525fbf-66
0.454
MAR-TRE-d0525fbf-88
0.453
MAR-TRE-3e4e6814-94
0.446
MAR-TRE-3e4e6814-51
0.445
MAR-TRE-74c6519b-11
0.417
MAR-TRE-f6f5f473-66
0.400
MAR-TRE-04c86cea-73
0.387
MAR-TRE-04c86cea-74
0.386
MAR-TRE-74c6519b-75
0.383
MAR-TRE-04c86cea-12
0.383
MAR-TRE-f6f5f473-40
0.375
MAR-TRE-f6f5f473-54
0.375
MAR-TRE-f6f5f473-92
0.373
MAR-TRE-3e4e6814-42
0.352
MAR-TRE-3e4e6814-35
0.350
MAR-TRE-74c6519b-21
0.347
MAR-TRE-74c6519b-73
0.346
MAR-TRE-74c6519b-40
0.342
MAR-TRE-f6f5f473-86
0.336
MAR-TRE-3e4e6814-25
0.333
MAR-TRE-4b834d9a-51
0.333
MAR-TRE-74c6519b-30
0.330
MAR-TRE-f6f5f473-34
0.327
MAR-TRE-f6f5f473-43
0.322
MAR-TRE-f6f5f473-17
0.319
MAR-TRE-f6f5f473-88
0.316
MAR-TRE-3e4e6814-21
0.316
MAR-TRE-f6f5f473-21
0.314
MAR-TRE-74c6519b-6
0.313
MAR-TRE-b77b7921-11
0.312
MAR-TRE-3e4e6814-11
0.311
MAR-TRE-f6f5f473-22
0.308
MAR-TRE-b77b7921-20
0.306
MAR-TRE-f6f5f473-55
0.304
MAR-TRE-b77b7921-48
0.303
MAR-TRE-f6f5f473-12
0.303
MAR-TRE-74c6519b-5
0.303
MAR-TRE-04c86cea-80
0.302
MAR-TRE-74c6519b-39
0.302
MAR-TRE-04c86cea-33
0.301
MAR-TRE-04c86cea-70
0.300
MAR-TRE-74c6519b-92
0.299
MAR-TRE-d0525fbf-23
0.299
MAR-TRE-3e4e6814-26
0.298
MAR-TRE-74c6519b-25
0.298
MAR-TRE-4b834d9a-93
0.298
MAR-TRE-f6f5f473-68
0.297
MAR-TRE-7f7bb9f0-39
0.296
MAR-TRE-7f7bb9f0-87
0.296
MAR-TRE-b77b7921-45
0.295
MAR-TRE-04c86cea-67
0.295
MAR-TRE-4b834d9a-55
0.295
MAR-TRE-3e4e6814-4
0.293
GAB-FAC-0d239413-1
0.292
MAR-TRE-3e4e6814-10
0.292
MAR-TRE-3159af1a-25
0.292
MAR-TRE-4b834d9a-12
0.292
MAR-TRE-4b834d9a-22
0.289
MAR-TRE-3e4e6814-60
0.289
MAR-TRE-b77b7921-54
0.288
MAR-TRE-3e4e6814-86
0.288
MAR-TRE-9c797165-78
0.287
MAR-TRE-4b834d9a-2
0.287
MAR-TRE-74c6519b-70
0.287
MAR-TRE-04c86cea-3
0.287
MAR-TRE-74c6519b-15
0.287
MAR-TRE-74c6519b-33
0.287
MAR-TRE-9c797165-18
0.286
MAR-TRE-3e4e6814-48
0.286
MAR-TRE-3e4e6814-72
0.286
MAR-TRE-f6f5f473-72
0.285
MAR-TRE-f6f5f473-96
0.285
MAR-TRE-4b834d9a-39
0.283
MAR-TRE-b77b7921-24
0.282
MAR-TRE-04c86cea-66
0.282
MAR-TRE-d0525fbf-6
0.282
MAR-TRE-d0525fbf-28
0.282
MAR-TRE-4b834d9a-3
0.282
MAR-TRE-d0525fbf-17
0.281
MAR-TRE-4b834d9a-99
0.281
MAR-TRE-3e4e6814-18
0.281
MAR-TRE-04c86cea-57
0.279
MAR-TRE-3e4e6814-29
0.279
MAR-TRE-b77b7921-23
0.279
MAR-TRE-d0525fbf-39
0.279
MAR-TRE-7f7bb9f0-71
0.279
MAR-TRE-4b834d9a-8
0.278
MAR-TRE-d0525fbf-67
0.278
MAR-TRE-7f7bb9f0-17
0.277
MAR-TRE-d0525fbf-27
0.276