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DocumentationIdentifier: MM383852
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383852 |
| SMILES |
CCC(C=CCF)=CC#N
|
| InChIKey |
WYHTXANYHZFMFY-UHFFFAOYSA-N
|
| MW [Da] |
139.17
Automatically obtained from RDkit software. |
| LogP |
2.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179417
Similarity: 0.7551
Similarity to MM179417
| Tanimoto metric | 0.7551 |
|---|---|
| Cosine metric | 0.869 |
| Dice metric | 0.8605 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM200889
Similarity: 0.7347
Similarity to MM200889
| Tanimoto metric | 0.7347 |
|---|---|
| Cosine metric | 0.8571 |
| Dice metric | 0.8471 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379170
Similarity: 0.7193
Similarity to MM379170
| Tanimoto metric | 0.7193 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8367 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+600 more
