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DocumentationIdentifier: MM301075
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM301075 |
| SMILES |
C=CCC(=C)C(C)=C(C)C
|
| InChIKey |
GSZZBSMDQGRPFD-UHFFFAOYSA-N
|
| MW [Da] |
136.24
Automatically obtained from RDkit software. |
| LogP |
3.48
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 | 0.7843 |
|---|---|
| Cosine metric | 0.8856 |
| Dice metric | 0.8791 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 3
Total passive interactions
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| Tanimoto metric | 0.7069 |
|---|---|
| Cosine metric | 0.8287 |
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 3.25 |
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