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DocumentationIdentifier: MM157220
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM157220 |
| SMILES |
C#CCCC(C)C=CC
|
| InChIKey |
KWOMYBXNWHQRMY-UHFFFAOYSA-N
|
| MW [Da] |
122.21
Automatically obtained from RDkit software. |
| LogP |
2.61
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 | 0.8493 |
|---|---|
| Cosine metric | 0.9216 |
| Dice metric | 0.9185 |
| MW: | 136.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.78 |
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Total active interactions
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MM264045
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| Tanimoto metric | 0.8052 |
|---|---|
| Cosine metric | 0.8973 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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