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DocumentationIdentifier: MM240812
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM240812 |
| SMILES |
CC(C)(C#N)CC#CC=O
|
| InChIKey |
XVAHOFAWTXDYQF-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
1.13
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 | 0.8312 |
|---|---|
| Cosine metric | 0.9117 |
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| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 3
Total passive interactions
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| LogP: | 1.95 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 0.24 |
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Total active interactions
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+339 more
