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DocumentationIdentifier: MM383228
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383228 |
| SMILES |
C=CC=C(CO)C(O)C=O
|
| InChIKey |
XEGNSTJGFZQHBH-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.35
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 | 0.7612 |
|---|---|
| Cosine metric | 0.8725 |
| Dice metric | 0.8644 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM361170
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| Tanimoto metric | 0.6959 |
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| Cosine metric | 0.8226 |
| Dice metric | 0.8207 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
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| AI: | 0
Total active interactions
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MM96025
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| Tanimoto metric | 0.6772 |
|---|---|
| Cosine metric | 0.8076 |
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+192 more
