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DocumentationIdentifier: MM317072
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317072 |
| SMILES |
C=CC(=O)CCC(C)OC
|
| InChIKey |
YXNOUBDNLVZOBB-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.56
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 | 0.7238 |
|---|---|
| Cosine metric | 0.8508 |
| Dice metric | 0.8398 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 3
Total passive interactions
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| LogP: | 1.17 |
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MM317962
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|---|---|
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.07 |
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+384 more
