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DocumentationIdentifier: MM280408
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280408 |
| SMILES |
C=CC=CCC(=C)CC=C
|
| InChIKey |
CURJCFDKHWKEAT-UHFFFAOYSA-N
|
| MW [Da] |
134.22
Automatically obtained from RDkit software. |
| LogP |
3.25
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 | 0.9333 |
|---|---|
| Cosine metric | 0.9661 |
| Dice metric | 0.9655 |
| MW: | 122.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 3.08 |
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Total active interactions
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MM374636
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| Tanimoto metric | 0.8235 |
|---|---|
| Cosine metric | 0.9037 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 3.48 |
||||
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