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DocumentationIdentifier: MM179376
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179376 |
| SMILES |
C#CC=C(C#C)OC=O
|
| InChIKey |
OFNXVKGPHZEHLL-UHFFFAOYSA-N
|
| MW [Da] |
120.11
Automatically obtained from RDkit software. |
| LogP |
0.31
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 | 0.8111 |
|---|---|
| Cosine metric | 0.9006 |
| Dice metric | 0.8957 |
| MW: | 110.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.7 |
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Total active interactions
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Total passive interactions
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| LogP: | 0.7 |
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+140 more
