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DocumentationIdentifier: MM281491
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM281491 |
| SMILES |
C=COC=CC(C)OCC
|
| InChIKey |
KNXNDAWNXCUXHU-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
2.09
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 | 0.8608 |
|---|---|
| Cosine metric | 0.9278 |
| Dice metric | 0.9252 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9071 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.7 |
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MM364790
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| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8679 |
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| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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