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DocumentationIdentifier: MM155972
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM155972 |
| SMILES |
C=COCC(C)OC=C
|
| InChIKey |
LXSVCBDMOGLGFA-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
1.7
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 | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 116.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.18 |
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| Cosine metric | 0.8836 |
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 2.09 |
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