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DocumentationIdentifier: MM112230
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM112230 |
| SMILES |
C=CC(C)C(C)=CF
|
| InChIKey |
SJVKNGSCXGWXNF-UHFFFAOYSA-N
|
| MW [Da] |
114.16
Automatically obtained from RDkit software. |
| LogP |
2.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174960
Similarity: 0.8108
Similarity to MM174960
| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.9005 |
| Dice metric | 0.8955 |
| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM138023
Similarity: 0.75
Similarity to MM138023
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 128.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM108605
Similarity: 0.7353
Similarity to MM108605
| Tanimoto metric | 0.7353 |
|---|---|
| Cosine metric | 0.8476 |
| Dice metric | 0.8475 |
| MW: | 114.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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