Molecular Properties | |
SMILES: | CCc1nc(SCC(=O)Nc2ccc(OC)cc2)[nH]c(=O)c1C#N |
MW: | 344.09 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 107.87 |
cLogP: | 1.94 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8283195480 |
MolPort: | MolPort-000-614-310 |
cyano_pyridone_B(27)
MAR-TRE-6c5ef77a-12
0.819
MAR-TRE-6c5ef77a-92
0.775
MAR-TRE-0fda4e82-96
0.775
MAR-TRE-0fda4e82-94
0.688
MAR-TRE-0fda4e82-100
0.658
MAR-TRE-6c5ef77a-24
0.634
MAR-TRE-a3327163-92
0.600
MAR-TRE-0fda4e82-60
0.593
MAR-TRE-6c5ef77a-23
0.592
MAR-TRE-6c5ef77a-3
0.577
MAR-TRE-0fda4e82-67
0.571
MAR-TRE-a3327163-36
0.568
MAR-TRE-6c5ef77a-4
0.558
MAR-TRE-0fda4e82-70
0.552
MAR-TRE-6c5ef77a-2
0.542
MAR-TRE-0fda4e82-24
0.541
MAR-TRE-6c5ef77a-10
0.541
MAR-TRE-6c5ef77a-15
0.526
MAR-TRE-0fda4e82-2
0.524
MAR-TRE-0fda4e82-40
0.512
MAR-TRE-a3327163-76
0.494
MAR-TRE-a3327163-88
0.482
MAR-TRE-6c5ef77a-67
0.464
MAR-TRE-0fda4e82-93
0.460
MAR-TRE-6c5ef77a-86
0.460
MAR-TRE-0fda4e82-91
0.460
MAR-TRE-a3327163-82
0.459
MAR-TRE-a3327163-71
0.456
MAR-TRE-0fda4e82-10
0.456
MAR-TRE-6c5ef77a-85
0.455
MAR-TRE-a3327163-40
0.440
MAR-TRE-f5c2d31c-76
0.424
MAR-TRE-1c920f6f-65
0.409
MAR-TRE-fd17a9b8-97
0.408
MAR-TRE-1c920f6f-97
0.405
MAR-TRE-0fda4e82-11
0.390
MAR-TRE-6c5ef77a-35
0.387
MAR-TRE-0fda4e82-14
0.386
MAR-TRE-a3327163-75
0.383
MAR-TRE-0fda4e82-85
0.383
MAR-TRE-a3327163-42
0.381
MAR-TRE-6c5ef77a-82
0.378
MAR-TRE-6c5ef77a-58
0.376
MAR-TRE-6c5ef77a-64
0.374
MAR-TRE-6c5ef77a-74
0.371
MAR-TRE-6c5ef77a-32
0.368
MAR-TRE-a3327163-32
0.368
MAR-TRE-0fda4e82-73
0.367
MAR-TRE-a3327163-43
0.352
MAR-TRE-1c920f6f-20
0.348
MAR-TRE-fd17a9b8-12
0.347
MAR-TRE-0fda4e82-72
0.347
MAR-TRE-a3327163-2
0.344
MAR-TRE-1c920f6f-95
0.340
MAR-TRE-0fda4e82-59
0.340
MAR-TRE-0fda4e82-81
0.337
MAR-TRE-1c920f6f-100
0.337
MAR-TRE-0fda4e82-56
0.333
MAR-TRE-0fda4e82-76
0.333
MAR-TRE-6c5ef77a-25
0.333
MAR-TRE-a3327163-53
0.333
MAR-TRE-0fda4e82-31
0.323
MAR-TRE-f5c2d31c-97
0.322
MAR-TRE-1c920f6f-75
0.322
MAR-TRE-6c5ef77a-47
0.320
MAR-TRE-f5c2d31c-6
0.320
MAR-TRE-6c5ef77a-66
0.319
MAR-TRE-0fda4e82-61
0.315
MAR-TRE-7f7bb9f0-90
0.315
MAR-TRE-14ce9fd6-59
0.312
MAR-TRE-3e4e6814-98
0.308
MAR-TRE-1c920f6f-47
0.308
MAR-TRE-a3327163-27
0.306
MAR-TRE-6c5ef77a-17
0.304
MAR-TRE-f5c2d31c-10
0.299
MAR-TRE-f5c2d31c-60
0.297
MAR-TRE-14ce9fd6-37
0.296
MAR-TRE-1c920f6f-94
0.293
MAR-TRE-d0525fbf-31
0.291
MAR-TRE-1c920f6f-59
0.287
MAR-TRE-f5c2d31c-15
0.287
MAR-TRE-1c920f6f-42
0.286
MAR-TRE-0fda4e82-74
0.286
MAR-TRE-b77b7921-57
0.282
MAR-TRE-04c86cea-67
0.282
MAR-TRE-d0525fbf-25
0.282
MAR-TRE-0fda4e82-18
0.282
MAR-TRE-a3327163-54
0.280
MAR-TRE-14ce9fd6-78
0.280
MAR-TRE-1c920f6f-19
0.279
MAR-TRE-14ce9fd6-7
0.279
MAR-TRE-14ce9fd6-27
0.278
MAR-TRE-7f7bb9f0-42
0.276
MAR-TRE-6c5ef77a-55
0.276
MAR-TRE-f5c2d31c-44
0.275
MAR-TRE-a3327163-30
0.275
MAR-TRE-14ce9fd6-6
0.274
MAR-TRE-a3327163-80
0.271
RAL-MED-9a5eb9cb-13
0.271
RAL-MED-9a5eb9cb-1
0.269