Molecular Properties | |
SMILES: | Cc1ccc(NC(=O)CSCC#N)cc1 |
MW: | 220.07 |
Fraction sp3: | 0.27 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 52.89 |
cLogP: | 2.19 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9076327406 |
MolPort: | MolPort-000-160-629 |
Aliphatic long chain
MAR-TRE-14ce9fd6-59
0.708
MAR-TRE-14ce9fd6-68
0.688
MAR-TRE-a3327163-48
0.688
MAR-TRE-a3327163-54
0.673
MAR-TRE-a3327163-40
0.667
MAR-TRE-14ce9fd6-61
0.633
MAR-TRE-14ce9fd6-51
0.452
MAR-TRE-0fda4e82-96
0.411
MAR-TRE-1c920f6f-97
0.377
MAR-TRE-6a44bbf2-12
0.375
JOH-UNI-c7afdb96-11
0.371
MAR-TRE-0fda4e82-81
0.353
MAR-TRE-6c5ef77a-67
0.333
MAR-TRE-a3327163-43
0.333
MAR-TRE-a3327163-32
0.333
MAR-TRE-1c920f6f-47
0.333
MAR-TRE-0fda4e82-72
0.329
MAR-TRE-0fda4e82-76
0.329
MAR-TRE-6c5ef77a-66
0.329
MAR-TRE-a3327163-42
0.329
MAR-TRE-a3327163-53
0.329
MAR-TRE-0fda4e82-56
0.329
MAR-TRE-6c5ef77a-64
0.325
MAR-TRE-6c5ef77a-74
0.320
MAR-TRE-0fda4e82-11
0.319
MAR-TRE-0fda4e82-31
0.316
MAR-TRE-a3327163-88
0.316
MAR-TRE-14ce9fd6-43
0.316
MAR-TRE-1c920f6f-100
0.316
MAR-TRE-1c920f6f-75
0.314
MAR-TRE-0fda4e82-14
0.314
MAR-TRE-3e4e6814-48
0.314
MAR-TRE-6c5ef77a-58
0.312
MAR-TRE-a3327163-82
0.312
MAR-TRE-1c920f6f-20
0.312
MAR-TRE-1c920f6f-65
0.312
MAR-TRE-14ce9fd6-27
0.312
MAR-TRE-14ce9fd6-26
0.311
MAR-TRE-1c920f6f-42
0.306
MAR-TRE-1c920f6f-95
0.304
MAR-TRE-0fda4e82-91
0.300
MAR-TRE-04c86cea-67
0.297
MAR-TRE-f5c2d31c-44
0.292
MAR-TRE-6c5ef77a-32
0.289
MAR-TRE-6c5ef77a-62
0.288
MAR-TRE-6c5ef77a-92
0.287
MAR-TRE-1c920f6f-26
0.287
MAR-TRE-f5c2d31c-10
0.286
MAR-TRE-a3327163-68
0.286
MAR-TRE-a3327163-71
0.286
MAR-TRE-1c920f6f-30
0.284
MAR-TRE-6c5ef77a-16
0.280
MAR-TRE-14ce9fd6-7
0.279
MAR-TRE-1c920f6f-19
0.279
MAR-TRE-6c5ef77a-35
0.277
MAR-LAB-ca4662a6-9
0.277
MAT-POS-b5746674-55
0.277
MAR-TRE-6c5ef77a-55
0.276
MAR-TRE-f5c2d31c-76
0.273
MAR-TRE-14ce9fd6-6
0.273
MAR-TRE-6c5ef77a-12
0.271
MAR-TRE-f5c2d31c-96
0.271
MAR-TRE-1c920f6f-52
0.269
MAR-TRE-1c920f6f-79
0.269
PET-SGC-cb62ec31-1
0.268
MAR-TRE-6c5ef77a-46
0.266
MAR-TRE-f5c2d31c-17
0.263
JPB-FNM-d51b4696-1
0.261
MAR-TRE-0fda4e82-94
0.259
MAR-TRE-1c920f6f-24
0.257
RAL-THA-2d450e86-3
0.257
MAR-LAB-ff9967db-21
0.256
MAR-TRE-6c5ef77a-26
0.253
MAR-TRE-14ce9fd6-37
0.253
MAR-TRE-6c5ef77a-51
0.253
MAR-TRE-0fda4e82-29
0.253
SAD-SAT-65574d3f-4
0.250
MAR-TRE-6a44bbf2-48
0.250
MAR-TRE-6c5ef77a-20
0.250
MAR-TRE-6a44bbf2-47
0.250
MAR-TRE-a3327163-57
0.250
MAR-TRE-a3327163-66
0.247
MAR-TRE-6c5ef77a-14
0.247
MAR-TRE-1c920f6f-44
0.247
MAR-TRE-0fda4e82-47
0.247
ASH-SAT-43770c7d-9
0.246
MAR-TRE-6c5ef77a-25
0.246
MAK-UNK-72659d64-3
0.246
JOH-SUS-bab12148-1
0.246
MAR-TRE-0fda4e82-89
0.244
JOH-UNI-c7afdb96-16
0.242
LON-WEI-1908424e-12
0.242
JOH-UNI-c7afdb96-17
0.242
MAR-TRE-6a44bbf2-90
0.242
JOH-UNI-c7afdb96-1
0.242
MAR-TRE-74c6519b-74
0.242
MAR-TRE-3159af1a-18
0.241
MAR-TRE-f6f5f473-85
0.241
MAR-TRE-0fda4e82-90
0.241
MAR-TRE-0fda4e82-100
0.241