Molecular Properties | |
SMILES: | CCc1nc(SCC(=O)Nc2ccccc2C)[nH]c(=O)c1C#N |
MW: | 328.1 |
Fraction sp3: | 0.25 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 98.64 |
cLogP: | 2.24 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6752267746 |
MolPort: | MolPort-000-614-330 |
cyano_pyridone_B(27)
MAR-TRE-a3327163-92
0.743
MAR-TRE-0fda4e82-67
0.727
MAR-TRE-0fda4e82-70
0.659
MAR-TRE-0fda4e82-94
0.658
MAR-TRE-0fda4e82-96
0.628
MAR-TRE-0fda4e82-100
0.628
MAR-TRE-0fda4e82-85
0.617
MAR-TRE-6c5ef77a-92
0.608
MAR-TRE-6c5ef77a-16
0.593
MAR-TRE-a3327163-36
0.580
MAR-TRE-6c5ef77a-12
0.571
MAR-TRE-6c5ef77a-24
0.570
MAR-TRE-6c5ef77a-2
0.554
MAR-TRE-0fda4e82-24
0.553
MAR-TRE-6c5ef77a-4
0.551
MAR-TRE-0fda4e82-40
0.544
MAR-TRE-6c5ef77a-23
0.541
MAR-TRE-6c5ef77a-10
0.533
MAR-TRE-6c5ef77a-3
0.531
MAR-TRE-0fda4e82-2
0.518
MAR-TRE-a3327163-76
0.506
MAR-TRE-6c5ef77a-15
0.500
MAR-TRE-a3327163-75
0.489
MAR-TRE-0fda4e82-73
0.467
MAR-TRE-0fda4e82-10
0.451
MAR-TRE-6c5ef77a-82
0.447
MAR-TRE-0fda4e82-91
0.438
MAR-TRE-6c5ef77a-86
0.422
MAR-TRE-0fda4e82-93
0.422
MAR-TRE-6c5ef77a-85
0.418
MAR-TRE-7f7bb9f0-42
0.350
MAR-TRE-a3327163-18
0.347
MAR-TRE-0fda4e82-54
0.347
MAR-TRE-a3327163-2
0.340
MAR-TRE-fd17a9b8-12
0.330
MAR-TRE-6c5ef77a-96
0.320
MAR-TRE-1c920f6f-65
0.316
MAR-TRE-a3327163-27
0.315
MAR-TRE-0fda4e82-61
0.312
MAR-TRE-3e4e6814-32
0.311
MAR-TRE-a3327163-80
0.309
LON-WEI-5e7d1b3e-75
0.305
LON-WEI-4d77710c-75
0.305
MAR-TRE-1c920f6f-3
0.304
MAR-TRE-a3327163-46
0.302
MAR-TRE-1c920f6f-20
0.302
MAR-TRE-1c920f6f-95
0.296
MAR-TRE-1c920f6f-74
0.295
MAR-TRE-1c920f6f-100
0.292
MAR-TRE-f6f5f473-5
0.291
MAR-TRE-f5c2d31c-6
0.290
MAR-TRE-6c5ef77a-47
0.290
MAR-TRE-f5c2d31c-49
0.287
MAR-TRE-a3327163-29
0.287
MAR-TRE-0fda4e82-89
0.286
MAR-TRE-0fda4e82-59
0.284
MAR-TRE-0fda4e82-90
0.283
MAR-TRE-0fda4e82-38
0.282
MAR-TRE-7f7bb9f0-23
0.280
MAR-TRE-f5c2d31c-67
0.280
MAR-TRE-0fda4e82-18
0.279
MAR-TRE-a3327163-88
0.278
JOH-UNI-abfda500-6
0.278
ANN-UNI-98d2bf15-1
0.278
MAR-TRE-d0525fbf-93
0.277
WJF-WAB-5e8b96ca-1
0.276
MAR-TRE-6c5ef77a-17
0.276
MAR-TRE-f5c2d31c-57
0.276
MAR-TRE-14ce9fd6-27
0.276
TRY-UNI-714a760b-20
0.274
MAR-TRE-6c5ef77a-55
0.274
MAR-TRE-6c5ef77a-32
0.272
MAR-TRE-a3327163-30
0.272
MAR-TRE-74c6519b-44
0.271
MAR-TRE-1c920f6f-96
0.270
MAR-TRE-a3327163-6
0.269
MAR-TRE-6c5ef77a-74
0.268
MAR-TRE-1c920f6f-81
0.268
NAU-LAT-30527ac5-2
0.267
MAR-TRE-0fda4e82-31
0.267
MAR-TRE-a3327163-34
0.267
MAR-TRE-14ce9fd6-37
0.267
MAR-TRE-14ce9fd6-43
0.265
MAR-TRE-0fda4e82-72
0.265
THO-SYG-cc9e9a11-4
0.264
MAR-TRE-7f7bb9f0-48
0.264
MAR-TRE-a3327163-32
0.263
TRY-UNI-2eddb1ff-1
0.263
MAR-TRE-a3327163-82
0.263
MAR-TRE-a3327163-11
0.261
MAR-TRE-0fda4e82-14
0.261
MAR-TRE-f5c2d31c-75
0.260
TRY-UNI-1fd04853-1
0.260
MAR-TRE-6c5ef77a-33
0.260
PET-SGC-175e168c-1
0.260
AAR-UNI-c25c2f1e-42
0.260
MAR-TRE-6c5ef77a-29
0.260
MAR-TRE-0fda4e82-30
0.259
MAR-TRE-a3327163-20
0.258
MAR-TRE-6c5ef77a-37
0.258