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DocumentationIdentifier: MM388228
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388228 |
| SMILES |
C=CCC(C=C)CC=CC
|
| InChIKey |
ZGHHDTPHSCMZBR-UHFFFAOYSA-N
|
| MW [Da] |
136.24
Automatically obtained from RDkit software. |
| LogP |
3.33
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199488
Similarity: 0.9032
Similarity to MM199488
| Tanimoto metric | 0.9032 |
|---|---|
| Cosine metric | 0.9504 |
| Dice metric | 0.9492 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406102
Similarity: 0.8788
Similarity to MM406102
| Tanimoto metric | 0.8788 |
|---|---|
| Cosine metric | 0.9355 |
| Dice metric | 0.9355 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406401
Similarity: 0.8056
Similarity to MM406401
| Tanimoto metric | 0.8056 |
|---|---|
| Cosine metric | 0.8933 |
| Dice metric | 0.8923 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+495 more
