Molecular Properties | |
SMILES: | CCc1nc(SCC(=O)Nc2ccc(F)c(Cl)c2)[nH]c(=O)c1C#N |
MW: | 366.04 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 98.64 |
cLogP: | 2.73 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8595985067 |
MolPort: | MolPort-000-614-336 |
cyano_pyridone_B(27)
MAR-TRE-6c5ef77a-92
0.692
MAR-TRE-0fda4e82-94
0.679
MAR-TRE-0fda4e82-96
0.650
MAR-TRE-6c5ef77a-16
0.634
MAR-TRE-0fda4e82-100
0.630
MAR-TRE-a3327163-92
0.614
MAR-TRE-6c5ef77a-12
0.612
MAR-TRE-0fda4e82-60
0.570
MAR-TRE-0fda4e82-67
0.533
MAR-TRE-a3327163-36
0.529
MAR-TRE-6c5ef77a-2
0.523
MAR-TRE-6c5ef77a-4
0.518
MAR-TRE-0fda4e82-70
0.516
MAR-TRE-6c5ef77a-23
0.506
MAR-TRE-0fda4e82-2
0.506
MAR-TRE-0fda4e82-24
0.505
MAR-TRE-6c5ef77a-3
0.500
MAR-TRE-6c5ef77a-10
0.481
MAR-TRE-6c5ef77a-51
0.478
MAR-TRE-0fda4e82-40
0.477
MAR-TRE-6c5ef77a-85
0.473
MAR-TRE-6c5ef77a-15
0.470
MAR-TRE-a3327163-76
0.446
MAR-TRE-6c5ef77a-86
0.446
MAR-TRE-0fda4e82-91
0.415
MAR-TRE-0fda4e82-93
0.415
MAR-TRE-0fda4e82-10
0.412
MAR-TRE-a3327163-75
0.402
MAR-TRE-6c5ef77a-74
0.391
MAR-TRE-6c5ef77a-82
0.382
MAR-TRE-f5c2d31c-6
0.381
MAR-TRE-6c5ef77a-47
0.381
JAG-UCB-1d922829-5
0.367
MAR-TRE-0fda4e82-85
0.360
MAR-TRE-0fda4e82-73
0.359
MAR-TRE-fd17a9b8-12
0.354
MAR-TRE-1c920f6f-26
0.347
MAR-TRE-6c5ef77a-46
0.344
MAR-TRE-6c5ef77a-17
0.337
MAR-TRE-7f7bb9f0-40
0.336
MAR-TRE-6c5ef77a-32
0.333
MAR-TRE-0fda4e82-29
0.330
MAR-TRE-d0525fbf-49
0.327
MAR-TRE-6c5ef77a-45
0.327
MAR-TRE-1c920f6f-65
0.327
JAG-UCB-1d922829-4
0.323
MAR-TRE-0fda4e82-59
0.320
MAR-TRE-1c920f6f-95
0.320
MAR-TRE-1c920f6f-30
0.317
MAR-TRE-14ce9fd6-37
0.317
MAR-TRE-1c920f6f-20
0.313
MAR-TRE-a3327163-2
0.311
JAG-UCB-1d922829-6
0.304
MAR-TRE-a3327163-88
0.303
MAR-TRE-1c920f6f-100
0.303
MAR-TRE-a3327163-32
0.302
MAR-TRE-0fda4e82-14
0.301
MAR-TRE-0fda4e82-47
0.300
WIL-UNI-1faa9b10-8
0.300
MAR-TRE-6c5ef77a-55
0.296
MAR-TRE-14ce9fd6-43
0.290
MAR-TRE-a3327163-27
0.289
MAR-TRE-a3327163-82
0.287
MAR-TRE-14ce9fd6-27
0.287
MAR-TRE-0fda4e82-61
0.287
MAR-TRE-fd17a9b8-97
0.286
MAR-TRE-6c5ef77a-66
0.286
MAR-TRE-7f7bb9f0-42
0.284
MAR-TRE-3159af1a-64
0.282
MAR-TRE-a3327163-80
0.280
MAR-TRE-0fda4e82-31
0.279
MAR-TRE-0fda4e82-11
0.277
MAR-TRE-a3327163-43
0.276
MAR-TRE-f5c2d31c-97
0.276
MAR-TRE-1c920f6f-44
0.275
MAR-TRE-f5c2d31c-13
0.274
MAR-TRE-6c5ef77a-35
0.274
DRA-CSI-47e38074-9
0.272
MAR-TRE-0fda4e82-56
0.271
MAR-TRE-a3327163-42
0.271
MAR-TRE-a3327163-71
0.269
MAR-TRE-a3327163-17
0.267
MAR-TRE-6c5ef77a-96
0.267
MAR-TRE-0fda4e82-18
0.266
MAR-TRE-6c5ef77a-67
0.265
MAR-TRE-a3327163-48
0.264
MAR-TRE-0fda4e82-72
0.264
MAR-TRE-6c5ef77a-58
0.264
MAR-TRE-0fda4e82-81
0.260
MAR-TRE-a3327163-29
0.260
MAR-TRE-6c5ef77a-64
0.260
MAR-TRE-a3327163-53
0.258
MAR-TRE-1c920f6f-19
0.252
MAR-TRE-14ce9fd6-7
0.252
MAR-TRE-0fda4e82-76
0.250
JUL-TUD-06b2044f-149
0.250
BEN-DND-61647d40-5
0.250
MAR-TRE-0fda4e82-42
0.250
BEN-VAN-ed886787-18
0.250
MAR-TRE-1c920f6f-47
0.250