Molecular Properties | |
SMILES: | CCc1nc(SC(C)C(=O)Nc2ccccc2C)[nH]c(=O)c1C#N |
MW: | 342.12 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 98.64 |
cLogP: | 2.63 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9545597855 |
MolPort: | MolPort-000-614-384 |
cyano_pyridone_B(27)
MAR-TRE-a3327163-75
0.760
MAR-TRE-0fda4e82-73
0.700
MAR-TRE-6c5ef77a-82
0.691
MAR-TRE-0fda4e82-91
0.654
MAR-TRE-0fda4e82-93
0.633
MAR-TRE-6c5ef77a-86
0.633
MAR-TRE-6c5ef77a-85
0.625
MAR-TRE-0fda4e82-60
0.617
MAR-TRE-a3327163-92
0.494
MAR-TRE-0fda4e82-67
0.489
MAR-TRE-0fda4e82-70
0.427
MAR-TRE-6c5ef77a-23
0.420
MAR-TRE-0fda4e82-94
0.419
MAR-TRE-6c5ef77a-10
0.415
MAR-TRE-0fda4e82-40
0.414
MAR-TRE-0fda4e82-96
0.407
MAR-TRE-6c5ef77a-15
0.405
MAR-TRE-6c5ef77a-4
0.402
MAR-TRE-a3327163-36
0.402
MAR-TRE-0fda4e82-24
0.400
MAR-TRE-0fda4e82-100
0.391
MAR-TRE-6c5ef77a-92
0.391
MAR-TRE-a3327163-76
0.387
MAR-TRE-6c5ef77a-12
0.385
MAR-TRE-6c5ef77a-16
0.383
MAR-TRE-6c5ef77a-2
0.383
MAR-TRE-0fda4e82-10
0.371
MAR-TRE-6c5ef77a-24
0.360
MAR-TRE-6c5ef77a-3
0.359
MAR-TRE-0fda4e82-2
0.351
MAR-TRE-0fda4e82-54
0.330
MAR-TRE-f5c2d31c-57
0.262
MAR-TRE-3e4e6814-32
0.261
MAR-TRE-0fda4e82-33
0.260
MAR-TRE-a3327163-18
0.255
MAR-TRE-f6f5f473-5
0.254
MAR-TRE-6c5ef77a-40
0.253
WJF-WAB-5e8b96ca-1
0.250
LON-WEI-5e7d1b3e-75
0.250
LON-WEI-4d77710c-75
0.250
TRY-UNI-714a760b-21
0.248
AAR-UNI-c25c2f1e-42
0.245
MAR-TRE-0fda4e82-38
0.243
MAR-TRE-6c5ef77a-37
0.242
PET-SGC-0f1d26ed-2
0.242
TRY-UNI-714a760b-22
0.240
MAR-TRE-a3327163-6
0.240
CHR-SOS-363cfb78-2
0.240
MAR-TRE-a3327163-2
0.236
JOH-UNI-c7afdb96-9
0.235
JOH-UNI-abfda500-6
0.234
ANN-UNI-98d2bf15-1
0.234
MAR-TRE-a3327163-27
0.233
ASH-SAT-43770c7d-9
0.233
MAR-TRE-1c920f6f-96
0.231
MAR-TRE-0fda4e82-61
0.231
LON-WEI-4d77710c-29
0.231
BAR-COM-4e090d3a-3
0.231
LON-WEI-5e7d1b3e-29
0.231
MAR-TRE-c8530538-50
0.229
TRY-UNI-1fd04853-3
0.229
MAR-TRE-799db12b-74
0.229
MAR-TRE-f5c2d31c-72
0.229
MAT-POS-590ac91e-14
0.229
MAR-TRE-a3327163-34
0.229
MAR-TRE-a3327163-80
0.228
MAR-TRE-1c920f6f-81
0.228
MAR-TRE-c8530538-41
0.227
MAR-TRE-0fda4e82-66
0.226
ANT-DIA-3c79be55-1
0.225
MAR-TRE-799db12b-63
0.224
BEN-DND-93268d01-3
0.223
TRY-UNI-714a760b-14
0.223
MAR-TRE-a3327163-21
0.223
MAR-TRE-a3327163-46
0.223
MAR-TRE-1c920f6f-20
0.223
MAR-TRE-0fda4e82-6
0.222
MAR-TRE-1c920f6f-3
0.222
BEN-DND-61647d40-4
0.222
MAR-TRE-0fda4e82-89
0.221
RED-RED-10c9212c-34
0.221
MAT-POS-b5746674-125
0.221
MAR-TRE-0fda4e82-90
0.219
MAR-TRE-1c920f6f-61
0.219
RAL-THA-2d450e86-21
0.219
MAR-TRE-1c920f6f-95
0.219
CHR-SOS-363cfb78-7
0.219
BEN-DND-93268d01-14
0.219
TRY-UNI-714a760b-23
0.218
CHR-SOS-363cfb78-6
0.217
MAR-TRE-6c5ef77a-96
0.217
SAD-SAT-89668ff1-3
0.217
THO-SYG-cc9e9a11-4
0.216
MAR-TRE-1c920f6f-74
0.216
MAR-TRE-04c86cea-22
0.216
AHN-SAT-202241f6-1
0.215
MAR-TRE-6a44bbf2-98
0.215
TRY-UNI-714a760b-17
0.215
MAR-TRE-0fda4e82-72
0.215
MAR-TRE-c8530538-31
0.215