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DocumentationIdentifier: MM143161
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM143161 |
| SMILES |
C=CC(=C)CC(C)=CF
|
| InChIKey |
QYMVUIVLMCGLOJ-UHFFFAOYSA-N
|
| MW [Da] |
126.17
Automatically obtained from RDkit software. |
| LogP |
2.99
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM334403
Similarity: 0.8444
Similarity to MM334403
| Tanimoto metric | 0.8444 |
|---|---|
| Cosine metric | 0.9189 |
| Dice metric | 0.9157 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334883
Similarity: 0.8444
Similarity to MM334883
| Tanimoto metric | 0.8444 |
|---|---|
| Cosine metric | 0.9189 |
| Dice metric | 0.9157 |
| MW: | 144.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150495
Similarity: 0.814
Similarity to MM150495
| Tanimoto metric | 0.814 |
|---|---|
| Cosine metric | 0.8977 |
| Dice metric | 0.8974 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+456 more
