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DocumentationIdentifier: MM87235
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87235 |
| SMILES |
C=CC(C)=C(C=O)CCO
|
| InChIKey |
FDMVBRJTQYXIOB-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.07
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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MM179147
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| Tanimoto metric | 0.7727 |
|---|---|
| Cosine metric | 0.879 |
| Dice metric | 0.8718 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6489 |
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| Cosine metric | 0.7872 |
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| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.98 |
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Total active interactions
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MM397463
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| Tanimoto metric | 0.6457 |
|---|---|
| Cosine metric | 0.7858 |
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| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+398 more
