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DocumentationIdentifier: MM349605
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349605 |
| SMILES |
C=CC(=O)C(C)CCCC
|
| InChIKey |
UJRMHNJZOWZFDT-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.57
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 | 0.8511 |
|---|---|
| Cosine metric | 0.9225 |
| Dice metric | 0.9195 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7843 |
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| Cosine metric | 0.8796 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.34 |
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MM316996
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| Tanimoto metric | 0.7374 |
|---|---|
| Cosine metric | 0.8525 |
| Dice metric | 0.8488 |
| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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