Molecular Properties | |
SMILES: | CCc1nc(SCC(=O)Nc2ccccc2Cl)[nH]c(=O)c1C#N |
MW: | 348.04 |
Fraction sp3: | 0.2 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 98.64 |
cLogP: | 2.59 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2086734762 |
MolPort: | MolPort-000-614-329 |
cyano_pyridone_B(27)
MAR-TRE-0fda4e82-60
0.743
MAR-TRE-0fda4e82-67
0.671
MAR-TRE-0fda4e82-70
0.667
MAR-TRE-a3327163-75
0.625
MAR-TRE-6c5ef77a-92
0.615
MAR-TRE-0fda4e82-96
0.615
MAR-TRE-0fda4e82-100
0.615
MAR-TRE-6c5ef77a-24
0.614
MAR-TRE-0fda4e82-94
0.605
MAR-TRE-6c5ef77a-4
0.600
MAR-TRE-6c5ef77a-16
0.600
MAR-TRE-a3327163-36
0.588
MAR-TRE-6c5ef77a-12
0.578
MAR-TRE-6c5ef77a-2
0.561
MAR-TRE-0fda4e82-24
0.560
MAR-TRE-0fda4e82-40
0.551
MAR-TRE-6c5ef77a-23
0.548
MAR-TRE-6c5ef77a-3
0.537
MAR-TRE-6c5ef77a-15
0.526
MAR-TRE-0fda4e82-2
0.524
MAR-TRE-6c5ef77a-10
0.520
MAR-TRE-a3327163-76
0.512
MAR-TRE-6c5ef77a-82
0.500
MAR-TRE-0fda4e82-85
0.494
MAR-TRE-6c5ef77a-85
0.455
MAR-TRE-0fda4e82-10
0.440
MAR-TRE-0fda4e82-91
0.427
MAR-TRE-0fda4e82-93
0.427
MAR-TRE-6c5ef77a-86
0.427
MAR-TRE-f5c2d31c-67
0.422
MAR-TRE-0fda4e82-73
0.411
MAR-TRE-7f7bb9f0-42
0.354
MAR-TRE-a3327163-2
0.330
MAR-TRE-0fda4e82-89
0.330
MAR-TRE-a3327163-18
0.323
MAR-TRE-1c920f6f-65
0.319
MAR-TRE-1c920f6f-3
0.308
MAR-TRE-fd17a9b8-12
0.306
MAR-TRE-a3327163-46
0.305
MAR-TRE-74c6519b-44
0.298
MAR-TRE-1c920f6f-74
0.298
MAR-TRE-6c5ef77a-74
0.298
MAR-TRE-7f7bb9f0-23
0.295
MAR-TRE-a3327163-27
0.294
MAR-TRE-d0525fbf-93
0.293
MAR-TRE-0fda4e82-61
0.291
RAL-THA-2d450e86-21
0.286
MAR-TRE-6c5ef77a-96
0.283
MAR-TRE-f5c2d31c-14
0.281
MAR-TRE-6c5ef77a-47
0.280
MAR-TRE-f5c2d31c-6
0.280
MAR-TRE-0fda4e82-90
0.273
MAR-TRE-0fda4e82-38
0.272
MAR-TRE-a3327163-80
0.271
MAR-TRE-67513f76-71
0.270
MAR-TRE-0fda4e82-18
0.269
MAR-TRE-7f7bb9f0-48
0.266
RED-RED-10c9212c-25
0.266
MAR-TRE-a3327163-61
0.266
MAR-TRE-9c797165-76
0.265
MAR-TRE-4f781e27-57
0.265
MAR-TRE-0fda4e82-14
0.264
MAR-TRE-9c797165-49
0.264
MAR-TRE-f5c2d31c-49
0.263
MAR-TRE-6c5ef77a-33
0.263
MAR-TRE-a3327163-20
0.260
MAR-TRE-1c920f6f-26
0.260
MAR-TRE-f5c2d31c-94
0.260
MAR-TRE-1c920f6f-95
0.260
AAR-UNI-c25c2f1e-8
0.257
MAR-TRE-14ce9fd6-37
0.257
ANT-DIA-3c79be55-1
0.255
MAR-TRE-6c5ef77a-46
0.255
MAR-TRE-1c920f6f-100
0.255
MAR-TRE-4b834d9a-95
0.255
AAR-UNI-c25c2f1e-74
0.255
MAR-TRE-6c5ef77a-17
0.255
CHR-SOS-7098f804-4
0.253
MAR-TRE-a3327163-32
0.253
MAR-TRE-1c920f6f-20
0.253
MAR-TRE-6c5ef77a-55
0.252
MAR-TRE-a3327163-29
0.250
MAR-TRE-a3327163-30
0.250
MAR-TRE-1c920f6f-75
0.250
MAR-TRE-0fda4e82-59
0.250
MAR-TRE-6c5ef77a-32
0.250
MAR-TRE-a3327163-3
0.250
MAR-TRE-f5c2d31c-74
0.250
BAR-COM-4e090d3a-14
0.250
MAR-TRE-a3327163-71
0.248
MAR-TRE-0fda4e82-54
0.248
UNK-UNK-2ede4078-70
0.248
MAR-TRE-6c5ef77a-37
0.247
MAR-TRE-a3327163-42
0.247
MAR-TRE-1c920f6f-91
0.247
MAR-TRE-6a44bbf2-98
0.247
NIM-UNI-7ba87d62-3
0.245
MAR-TRE-0fda4e82-31
0.245
MAR-TRE-1c920f6f-49
0.245
MAR-TRE-a3327163-34
0.245