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DocumentationIdentifier: MM262241
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262241 |
| SMILES |
C=CCC(C)CC(=C)C=C
|
| InChIKey |
GQPHOVRVPWZZJG-UHFFFAOYSA-N
|
| MW [Da] |
136.24
Automatically obtained from RDkit software. |
| LogP |
3.33
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 | 0.8857 |
|---|---|
| Cosine metric | 0.9411 |
| Dice metric | 0.9394 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 3.55 |
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Total active interactions
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MM262176
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| Tanimoto metric | 0.8052 |
|---|---|
| Cosine metric | 0.8921 |
| Dice metric | 0.8921 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.55 |
||||
|---|---|---|---|---|---|
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Total active interactions
|
+352 more
