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DocumentationIdentifier: MM171204
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171204 |
| SMILES |
C=COCC=C(C)C=O
|
| InChIKey |
IXVNLNHXZCQFIX-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
1.29
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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MM370512
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Similarity to MM370512
| Tanimoto metric | 0.8313 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.9079 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7931 |
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| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 140.18 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.68 |
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| AI: | 0
Total active interactions
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MM438475
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| Tanimoto metric | 0.734 |
|---|---|
| Cosine metric | 0.8568 |
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| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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