Molecular Properties | |
SMILES: | Cc1cccc(Cn2c(=O)n(CCNC(=O)c3cccc(C#N)c3)c3ncccc32)c1 |
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-2258967170 |
MolPort: | MolPort-028-859-319 |
MAR-TRE-04c86cea-14
0.789
MAR-TRE-f6f5f473-42
0.783
MAR-TRE-04c86cea-54
0.734
MAR-TRE-3e4e6814-51
0.594
MAR-TRE-3e4e6814-94
0.592
MAR-TRE-3e4e6814-64
0.515
MAR-TRE-74c6519b-59
0.490
MAR-TRE-f6f5f473-93
0.486
MAR-TRE-f6f5f473-61
0.455
MAR-TRE-3e4e6814-70
0.429
MAR-TRE-3e4e6814-71
0.427
MAR-TRE-04c86cea-88
0.420
MAR-TRE-d0525fbf-66
0.395
MAR-TRE-d0525fbf-88
0.393
MAR-TRE-b77b7921-11
0.380
MAR-TRE-74c6519b-11
0.375
MAR-TRE-04c86cea-15
0.368
MAR-TRE-f6f5f473-49
0.367
MAR-TRE-74c6519b-25
0.364
MAR-TRE-74c6519b-70
0.347
MAR-TRE-04c86cea-37
0.347
MAR-TRE-f6f5f473-72
0.333
MAR-TRE-3e4e6814-2
0.331
MAR-TRE-74c6519b-8
0.331
MAR-TRE-04c86cea-74
0.322
MAR-TRE-74c6519b-7
0.320
MAR-TRE-3159af1a-4
0.310
MAR-TRE-4b834d9a-99
0.310
AAR-UNI-c25c2f1e-89
0.308
AGN-NEW-c7b24fe3-3
0.305
MAR-TRE-4b834d9a-93
0.303
GAB-FAC-0d239413-1
0.299
MAR-TRE-04c86cea-12
0.298
MAR-TRE-f6f5f473-12
0.298
MAR-TRE-4b834d9a-33
0.296
MAR-TRE-f6f5f473-66
0.296
MAR-TRE-3e4e6814-25
0.295
MAR-TRE-d0525fbf-23
0.294
MAR-TRE-74c6519b-75
0.293
MAR-TRE-4b834d9a-2
0.293
MAR-TRE-3e4e6814-72
0.292
MAR-TRE-7f7bb9f0-39
0.291
MAR-TRE-4b834d9a-55
0.289
MAR-TRE-04c86cea-73
0.289
MAR-TRE-f6f5f473-40
0.289
MAR-TRE-f6f5f473-54
0.289
MAR-TRE-4b834d9a-3
0.288
MAR-TRE-f6f5f473-55
0.288
MAR-TRE-f6f5f473-89
0.288
MAR-TRE-b77b7921-24
0.288
MAR-TRE-3e4e6814-18
0.287
MAR-TRE-4b834d9a-12
0.287
JOO-PER-74f994a9-1
0.286
MAR-TRE-3e4e6814-5
0.286
MAR-TRE-3e4e6814-29
0.285
MAR-TRE-4b834d9a-8
0.284
MAR-TRE-f6f5f473-22
0.282
MAR-TRE-b77b7921-62
0.282
MAR-TRE-9c797165-78
0.282
MAR-TRE-f6f5f473-92
0.281
MAR-TRE-4b834d9a-54
0.281
MAR-TRE-74c6519b-73
0.281
MAR-TRE-b77b7921-20
0.280
MAR-TRE-9c797165-18
0.280
MAR-TRE-4b834d9a-25
0.280
RAF-POL-b61b4b25-9
0.279
MAR-TRE-4b834d9a-80
0.278
MAR-TRE-74c6519b-77
0.278
MAR-TRE-d0525fbf-6
0.278
MAR-TRE-b77b7921-21
0.278
MAR-TRE-d0525fbf-28
0.277
MAR-TRE-f6f5f473-34
0.277
PAT-UNK-b2d83456-1
0.277
MAR-TRE-7f7bb9f0-87
0.277
MAR-TRE-4b834d9a-15
0.276
MAR-TRE-3159af1a-25
0.276
MAR-TRE-74c6519b-78
0.276
MAR-TRE-04c86cea-33
0.276
MAR-TRE-74c6519b-39
0.275
MAR-TRE-04c86cea-45
0.275
MAR-TRE-04c86cea-80
0.275
MAR-TRE-3e4e6814-1
0.274
MAR-TRE-b77b7921-23
0.274
MAR-TRE-4b834d9a-22
0.274
MAR-TRE-7f7bb9f0-71
0.274
MAR-TRE-04c86cea-55
0.274
MAR-TRE-04c86cea-70
0.274
MAR-TRE-b77b7921-33
0.274
MAR-TRE-3e4e6814-26
0.273
MAR-TRE-74c6519b-15
0.272
MAR-TRE-7f7bb9f0-17
0.272
MAR-TRE-b77b7921-54
0.272
MAR-TRE-d0525fbf-71
0.271
MAR-TRE-b77b7921-51
0.271
MAR-TRE-d0525fbf-43
0.271
MAR-TRE-9c797165-74
0.271
MAR-TRE-74c6519b-30
0.270
MAR-TRE-f6f5f473-17
0.270
MAR-TRE-f6f5f473-68
0.270
MAR-TRE-f6f5f473-59
0.270