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DocumentationIdentifier: MM113129
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM113129 |
| SMILES |
C=CCCC(=C)CC
|
| InChIKey |
PQBYHQPDCJAKLG-UHFFFAOYSA-N
|
| MW [Da] |
110.2
Automatically obtained from RDkit software. |
| LogP |
2.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156216
Similarity: 0.8636
Similarity to MM156216
| Tanimoto metric | 0.8636 |
|---|---|
| Cosine metric | 0.9293 |
| Dice metric | 0.9268 |
| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 122.21 |
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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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MM144794
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| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.8898 |
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| MW: | 124.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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