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DocumentationIdentifier: MM360538
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360538 |
| SMILES |
CC(=CC(C)C)C(C)O
|
| InChIKey |
HROYYSHPCWDUJQ-UHFFFAOYSA-N
|
| MW [Da] |
128.22
Automatically obtained from RDkit software. |
| LogP |
1.97
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 | 0.8778 |
|---|---|
| Cosine metric | 0.9369 |
| Dice metric | 0.9349 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.893 |
| Dice metric | 0.8873 |
| MW: | 114.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.72 |
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Total active interactions
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MM353514
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| Tanimoto metric | 0.7745 |
|---|---|
| Cosine metric | 0.8801 |
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| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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