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DocumentationIdentifier: MM239702
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239702 |
| SMILES |
CC(C)(C=O)CCCC=O
|
| InChIKey |
LVYJEVPJGCOJSZ-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.58
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 | 0.931 |
|---|---|
| Cosine metric | 0.9643 |
| Dice metric | 0.9643 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.4 |
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Total active interactions
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MM239594
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| Tanimoto metric | 0.8525 |
|---|---|
| Cosine metric | 0.9204 |
| Dice metric | 0.9204 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.79 |
||||
|---|---|---|---|---|---|
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Total active interactions
|
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