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DocumentationHepta-1,6-diene-3,5-dione
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02865 |
| SMILES |
C=CC(=O)CC(=O)C=C
|
| InChIKey |
VEKIZRLWPXYFMW-UHFFFAOYSA-N
|
| MW [Da] |
124.14
Automatically obtained from RDkit software. |
| LogP |
0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
544203
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.9298 |
|---|---|
| Cosine metric | 0.9643 |
| Dice metric | 0.9636 |
| MW: | 112.13 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.72 |
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|---|---|---|---|---|---|
| AI: | 0
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| PI: | 3
Total passive interactions
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| LogP: | 1.11 |
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MM264546
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| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8389 |
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| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+38 more
