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DocumentationIdentifier: MM245127
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM245127 |
| SMILES |
CCC(C)CC(C)C(C)=O
|
| InChIKey |
OMHNBLSGUXNATQ-UHFFFAOYSA-N
|
| MW [Da] |
142.24
Automatically obtained from RDkit software. |
| LogP |
2.65
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 | 0.8714 |
|---|---|
| Cosine metric | 0.9335 |
| Dice metric | 0.9313 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.26 |
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| Tanimoto metric | 0.8421 |
|---|---|
| Cosine metric | 0.9143 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
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Total active interactions
|
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