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DocumentationIdentifier: MM158035
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM158035 |
| SMILES |
C=CCC(=C)C=CC=O
|
| InChIKey |
DEYXCEKMVYWZNY-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
1.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.9189 |
|---|---|
| Cosine metric | 0.9586 |
| Dice metric | 0.9577 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7941 |
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| Cosine metric | 0.8911 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM237613
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Similarity to MM237613
| Tanimoto metric | 0.7556 |
|---|---|
| Cosine metric | 0.8692 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+350 more
