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DocumentationIdentifier: MM357773
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM357773 |
| SMILES |
CCC#CC(C)C(C)C#N
|
| InChIKey |
HKTFDNSWGMFCOP-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
2.2
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 | 0.8947 |
|---|---|
| Cosine metric | 0.9459 |
| Dice metric | 0.9444 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
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| AI: | 0
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Total passive interactions
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