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DocumentationIdentifier: MM420605
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420605 |
| SMILES |
C=CC=CCC(C=C)=CF
|
| InChIKey |
MEBSRPWWIYNFIF-UHFFFAOYSA-N
|
| MW [Da] |
138.19
Automatically obtained from RDkit software. |
| LogP |
3.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM377260
Similarity: 0.7917
Similarity to MM377260
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.884 |
| Dice metric | 0.8837 |
| MW: | 140.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168976
Similarity: 0.7619
Similarity to MM168976
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM346333
Similarity: 0.7551
Similarity to MM346333
| Tanimoto metric | 0.7551 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.8605 |
| MW: | 140.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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