Molecular Properties | |
SMILES: | Cc1ccc(Cl)cc1NC(=O)CSCC#N |
MW: | 254.03 |
Fraction sp3: | 0.27 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 52.89 |
cLogP: | 2.84 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9594774594 |
MolPort: | MolPort-002-096-362 |
Aliphatic long chain
MAR-TRE-a3327163-48
0.508
MAR-TRE-14ce9fd6-78
0.452
MAR-TRE-14ce9fd6-59
0.429
MAR-TRE-14ce9fd6-61
0.419
MAR-TRE-14ce9fd6-68
0.413
MAR-TRE-a3327163-40
0.409
JAG-UCB-3b0e85f1-1
0.407
MAR-TRE-a3327163-54
0.406
MAR-TRE-3159af1a-46
0.398
MAR-TRE-d0525fbf-42
0.380
MAR-TRE-74c6519b-34
0.368
MAR-TRE-6c5ef77a-96
0.366
MAR-TRE-74c6519b-80
0.361
IND-SYN-2c708b29-4
0.333
RAL-THA-2d450e86-27
0.333
MAR-TRE-1c920f6f-26
0.306
MAR-TRE-f5c2d31c-75
0.296
MAR-TRE-0fda4e82-89
0.294
ASH-SAT-43770c7d-9
0.290
EDG-MED-0da5ad92-16
0.289
MAR-TRE-6c5ef77a-74
0.289
MAR-TRE-1c920f6f-30
0.287
EDG-MED-0da5ad92-8
0.286
PET-UNK-4d432d33-2
0.286
TRY-UNI-2eddb1ff-2
0.286
PET-UNK-4d432d33-6
0.286
MAR-TRE-f5c2d31c-14
0.286
MAR-TRE-14ce9fd6-27
0.282
BAR-COM-0f94fc3d-41
0.282
PET-UNK-8df914d1-3
0.282
TRY-UNI-714a760b-6
0.282
AHN-SAT-de2502ba-10
0.278
MAR-TRE-f5c2d31c-94
0.276
MAR-TRE-0fda4e82-90
0.276
AGN-NEW-c7b24fe3-4
0.275
AHN-SAT-de2502ba-9
0.275
MAR-TRE-6c5ef77a-51
0.273
EDG-MED-0da5ad92-21
0.273
JIN-POS-6dc588a4-24
0.271
MAR-TRE-14ce9fd6-43
0.271
MIC-UNK-50cce87d-3
0.271
RUB-POS-1325a9ea-3
0.271
RAL-THA-2d450e86-28
0.270
PET-UNK-dd44aeb6-3
0.270
EDJ-MED-49816e9b-3
0.269
BEN-DND-61647d40-18
0.269
EDG-MED-0da5ad92-14
0.269
MAR-TRE-1c920f6f-3
0.268
ALP-POS-f13221e1-4
0.268
MAR-TRE-6c5ef77a-57
0.268
ALP-POS-d7944b10-10
0.267
BAR-COM-0f94fc3d-48
0.266
MAK-UNK-6ca90168-26
0.265
MAT-POS-5cd9ea36-15
0.264
JAN-GHE-5a013bed-5
0.264
PET-UNK-5ad1c31a-7
0.262
PET-UNK-5ad1c31a-1
0.262
RUB-POS-1325a9ea-17
0.262
PET-UNK-6314f867-3
0.261
MAR-TRE-a3327163-18
0.261
MAT-POS-61f37a1a-12
0.260
PET-UNK-162c14b2-1
0.260
EDG-MED-0da5ad92-17
0.259
PET-UNK-5ad1c31a-9
0.259
PET-UNK-5ad1c31a-3
0.259
MAR-TRE-1c920f6f-74
0.259
MAR-TRE-1c920f6f-49
0.258
EDG-MED-0da5ad92-7
0.258
PET-UNK-4d432d33-5
0.257
DAR-DIA-0f2f46c9-8
0.257
DAR-DIA-0f2f46c9-9
0.257
DAR-DIA-0f2f46c9-7
0.257
PET-UNK-4d432d33-1
0.257
NAU-LAT-e1818702-7
0.256
JAG-UCB-a3ef7265-15
0.256
JAG-UCB-a3ef7265-17
0.256
RAL-THA-2d450e86-30
0.256
MAK-UNK-6ca90168-23
0.256
MAR-TRE-1c920f6f-100
0.256
MAR-TRE-a3327163-88
0.256
RUB-POS-1325a9ea-5
0.256
MAR-TRE-6c5ef77a-46
0.256
MAR-TRE-d0525fbf-93
0.256
BEN-DND-d1eb1f41-4
0.256
EDJ-MED-c5ca5386-2
0.256
PET-UNK-c671f938-3
0.255
PET-UNK-5ad1c31a-11
0.255
PET-UNK-5ad1c31a-5
0.255
PET-UNK-c671f938-7
0.255
MAR-TRE-6c5ef77a-54
0.253
MAT-POS-590ac91e-15
0.253
MIC-UNK-d935700b-1
0.253
TRY-UNI-2eddb1ff-1
0.253
MAR-TRE-1c920f6f-20
0.253
BAR-COM-0f94fc3d-27
0.253
RAL-THA-2d450e86-8
0.253
MAR-TRE-0fda4e82-60
0.253
MAR-UCB-6ab2ec87-6
0.253
PET-UNK-c671f938-2
0.253
PET-UNK-c671f938-6
0.253