Molecular Properties | |
SMILES: | CCc1nc(SCC(=O)Nc2cc(C)cc(C)c2)[nH]c(=O)c1C#N |
MW: | 342.12 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 98.64 |
cLogP: | 2.55 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6426430968 |
MolPort: | MolPort-000-614-339 |
cyano_pyridone_B(27)
MAR-TRE-0fda4e82-96
0.722
MAR-TRE-6c5ef77a-92
0.699
MAR-TRE-0fda4e82-94
0.684
MAR-TRE-6c5ef77a-16
0.658
MAR-TRE-6c5ef77a-12
0.633
MAR-TRE-6c5ef77a-24
0.630
MAR-TRE-0fda4e82-60
0.628
MAR-TRE-a3327163-92
0.615
MAR-TRE-0fda4e82-67
0.585
MAR-TRE-6c5ef77a-4
0.573
MAR-TRE-6c5ef77a-23
0.563
MAR-TRE-6c5ef77a-10
0.556
MAR-TRE-6c5ef77a-3
0.551
MAR-TRE-0fda4e82-70
0.547
MAR-TRE-a3327163-36
0.543
MAR-TRE-0fda4e82-2
0.537
MAR-TRE-6c5ef77a-2
0.537
MAR-TRE-6c5ef77a-15
0.520
MAR-TRE-0fda4e82-24
0.518
MAR-TRE-0fda4e82-40
0.506
MAR-TRE-a3327163-76
0.488
MAR-TRE-0fda4e82-91
0.453
MAR-TRE-6c5ef77a-86
0.437
MAR-TRE-0fda4e82-10
0.433
MAR-TRE-0fda4e82-93
0.420
MAR-TRE-6c5ef77a-85
0.416
MAR-TRE-0fda4e82-73
0.404
MAR-TRE-a3327163-75
0.391
MAR-TRE-0fda4e82-85
0.391
MAR-TRE-a3327163-2
0.380
MAR-TRE-6c5ef77a-82
0.371
MAR-TRE-fd17a9b8-12
0.355
MAR-TRE-6c5ef77a-47
0.326
MAR-TRE-f5c2d31c-6
0.326
MAR-TRE-1c920f6f-65
0.326
JAG-UCB-a3ef7265-13
0.325
JAG-UCB-a3ef7265-12
0.325
MAR-TRE-a3327163-27
0.324
MAR-TRE-0fda4e82-61
0.321
MAR-TRE-6c5ef77a-32
0.320
MAR-TRE-6c5ef77a-74
0.319
MAR-TRE-14ce9fd6-43
0.315
MAR-TRE-1c920f6f-20
0.312
MAR-TRE-0fda4e82-59
0.306
MAR-TRE-1c920f6f-95
0.305
MAR-TRE-a3327163-80
0.304
MAR-TRE-a3327163-88
0.301
MAR-TRE-1c920f6f-100
0.301
MAR-TRE-0fda4e82-14
0.299
MAR-TRE-74c6519b-28
0.298
MAR-TRE-6c5ef77a-17
0.297
MAR-TRE-0fda4e82-31
0.289
MAR-TRE-14ce9fd6-37
0.289
MAR-TRE-0fda4e82-18
0.287
MAR-TRE-a3327163-32
0.286
MAR-TRE-a3327163-43
0.286
MAR-TRE-6c5ef77a-28
0.286
MAR-TRE-a3327163-82
0.284
MAR-TRE-a3327163-29
0.283
MAR-TRE-6c5ef77a-55
0.282
MAR-TRE-7f7bb9f0-42
0.282
MAR-TRE-a3327163-34
0.276
MAR-TRE-0fda4e82-11
0.273
MAR-TRE-0fda4e82-72
0.273
MAR-TRE-fd17a9b8-97
0.271
MAR-TRE-14ce9fd6-27
0.271
MAR-TRE-1c920f6f-44
0.271
MAR-TRE-6c5ef77a-35
0.270
MAR-TRE-0fda4e82-81
0.270
MAR-TRE-6c5ef77a-66
0.269
MAR-TRE-f6f5f473-64
0.269
MAR-TRE-6c5ef77a-29
0.267
MAR-TRE-a3327163-42
0.267
MAR-TRE-1c920f6f-26
0.265
MAR-TRE-a3327163-71
0.265
MAR-TRE-0fda4e82-38
0.265
MAR-TRE-a3327163-6
0.264
MAR-TRE-1c920f6f-30
0.263
MAR-TRE-6c5ef77a-67
0.260
MAR-TRE-6c5ef77a-45
0.260
MAR-TRE-6c5ef77a-58
0.260
MAR-TRE-1c920f6f-47
0.258
MAR-TRE-f5c2d31c-97
0.258
MAR-TRE-0fda4e82-47
0.258
MAR-TRE-6c5ef77a-14
0.258
MAR-TRE-6c5ef77a-7
0.256
MAR-TRE-a3327163-11
0.256
MAR-TRE-6c5ef77a-64
0.255
MAR-TRE-1c920f6f-21
0.255
MAR-TRE-a3327163-24
0.253
MAR-TRE-0fda4e82-30
0.253
MAR-TRE-a3327163-53
0.253
MAR-TRE-0fda4e82-56
0.253
MAR-TRE-6c5ef77a-9
0.253
MAR-TRE-a3327163-20
0.253
MAR-TRE-a3327163-18
0.252
MAR-TRE-6c5ef77a-26
0.250
MAR-TRE-6c5ef77a-68
0.250
MAR-TRE-0fda4e82-29
0.250
MAR-TRE-1c920f6f-42
0.250