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DocumentationIdentifier: MM353425
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM353425 |
| SMILES |
CC=COC(=O)C(C)CC
|
| InChIKey |
IBDMMSNKNDQNMA-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
2.11
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 | 0.7257 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.841 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.86 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.72 |
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MM242279
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| Tanimoto metric | 0.6963 |
|---|---|
| Cosine metric | 0.821 |
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| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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