Molecular Properties | |
SMILES: | CCc1ccc(NC(=O)CSCC#N)cc1 |
MW: | 234.08 |
Fraction sp3: | 0.33 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 52.89 |
cLogP: | 2.44 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4378888223 |
MolPort: | MolPort-000-671-261 |
Aliphatic long chain
MAR-TRE-14ce9fd6-78
0.708
MAR-TRE-a3327163-48
0.688
MAR-TRE-14ce9fd6-68
0.688
MAR-TRE-a3327163-54
0.673
MAR-TRE-a3327163-40
0.667
MAR-TRE-14ce9fd6-61
0.633
MAR-TRE-14ce9fd6-51
0.429
MAR-TRE-1c920f6f-97
0.418
MAR-TRE-0fda4e82-76
0.347
MAR-TRE-0fda4e82-72
0.346
MAR-TRE-74c6519b-74
0.345
MAR-TRE-6c5ef77a-64
0.342
MAR-TRE-0fda4e82-81
0.333
MAR-TRE-0fda4e82-93
0.333
MAR-TRE-a3327163-32
0.333
MAR-TRE-1c920f6f-47
0.333
MAR-TRE-6c5ef77a-67
0.333
MAR-TRE-6c5ef77a-58
0.329
MAR-TRE-6c5ef77a-66
0.329
MAR-TRE-0fda4e82-56
0.329
MAR-TRE-a3327163-53
0.329
MAR-TRE-a3327163-42
0.329
MAR-TRE-0fda4e82-96
0.321
MAR-TRE-6c5ef77a-92
0.321
MAR-TRE-6c5ef77a-74
0.320
MAR-TRE-0fda4e82-11
0.319
MAR-TRE-a3327163-43
0.315
MAR-TRE-1c920f6f-75
0.314
MAR-TRE-0fda4e82-14
0.314
MAR-TRE-6c5ef77a-16
0.312
MAR-TRE-1c920f6f-65
0.312
MAR-TRE-1c920f6f-42
0.306
MAR-TRE-6c5ef77a-12
0.301
MAR-TRE-0fda4e82-31
0.300
MAR-TRE-a3327163-88
0.299
MAR-TRE-1c920f6f-100
0.299
MAR-TRE-a3327163-82
0.295
MAR-TRE-1c920f6f-20
0.295
MAR-TRE-14ce9fd6-27
0.295
MAR-TRE-14ce9fd6-7
0.294
MAR-TRE-6c5ef77a-35
0.293
MAR-TRE-f5c2d31c-76
0.289
MAR-TRE-6c5ef77a-62
0.288
MAR-TRE-1c920f6f-95
0.287
MAR-TRE-14ce9fd6-6
0.287
MAR-TRE-a3327163-68
0.286
MAR-TRE-f5c2d31c-10
0.286
MAR-TRE-14ce9fd6-43
0.282
MAR-TRE-1c920f6f-19
0.279
MAR-TRE-f5c2d31c-44
0.274
MAR-TRE-6c5ef77a-32
0.274
MAR-TRE-0fda4e82-94
0.274
MAR-TRE-1c920f6f-26
0.272
MAR-TRE-a3327163-71
0.271
MAR-TRE-1c920f6f-30
0.268
AAR-UNI-c25c2f1e-56
0.266
MAR-TRE-6c5ef77a-46
0.266
MAR-TRE-9d18ae8c-87
0.264
MAR-TRE-0fda4e82-47
0.263
MAR-TRE-f5c2d31c-17
0.263
MAR-TRE-6c5ef77a-55
0.261
RAL-THA-2d450e86-5
0.260
MAR-TRE-6c5ef77a-33
0.259
WIL-UNI-5578df48-15
0.257
JOH-UNI-c7afdb96-10
0.256
MAR-TRE-d0525fbf-25
0.255
KEI-TRE-d5e2018a-69
0.253
MAR-TRE-14ce9fd6-37
0.253
MAR-TRE-6c5ef77a-51
0.253
MAR-TRE-0fda4e82-29
0.253
JOH-IMS-62aeb97d-5
0.250
MAR-TRE-6c5ef77a-11
0.250
MAR-TRE-a3327163-57
0.250
MAR-TRE-1c920f6f-59
0.250
MAR-TRE-6c5ef77a-47
0.250
MAR-TRE-f5c2d31c-6
0.250
MAR-TRE-6c5ef77a-24
0.247
MAR-TRE-a3327163-66
0.247
MAR-TRE-1c920f6f-44
0.247
JOH-UNI-c7afdb96-14
0.246
MAR-TRE-6c5ef77a-25
0.246
JOH-SUS-bab12148-1
0.246
MAR-TRE-14ce9fd6-62
0.246
MAR-TRE-3e4e6814-98
0.245
MAR-TRE-7f7bb9f0-52
0.244
MAT-POS-3d050446-1
0.244
DAR-DIA-23aa0b97-4
0.243
MAK-UNK-c749d764-17
0.243
MAR-TRE-6a44bbf2-90
0.242
JOH-UNI-c7afdb96-1
0.242
JOH-UNI-c7afdb96-17
0.242
JOH-UNI-c7afdb96-16
0.242
LON-WEI-1908424e-12
0.242
MAR-TRE-04c86cea-67
0.242
MAR-TRE-b77b7921-57
0.242
MAK-UNK-f983951f-23
0.242
MAR-TRE-3e4e6814-48
0.242
MAR-TRE-f6f5f473-85
0.241
MAR-TRE-3159af1a-18
0.241
MAR-TRE-b77b7921-54
0.241