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DocumentationIdentifier: MM168163
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM168163 |
| SMILES |
COC(C)CC=CC=O
|
| InChIKey |
CNCMDARTWFWWGE-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
1.17
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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MM279801
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| Tanimoto metric | 0.8372 |
|---|---|
| Cosine metric | 0.915 |
| Dice metric | 0.9114 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 2
Total passive interactions
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| LogP: | 0.69 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.68 |
||||
|---|---|---|---|---|---|
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Total active interactions
|
+545 more
