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DocumentationIdentifier: MM224062
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM224062 |
| SMILES |
CC(C=O)=C(C)C(C)(C)O
|
| InChIKey |
CKRAUEBQEPFUAE-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.29
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 | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 0.9 |
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|---|---|
| Cosine metric | 0.83 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+589 more
