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DocumentationIdentifier: MM239594
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239594 |
| SMILES |
CCCCCC(C)(C)C=O
|
| InChIKey |
DAWZWARVCYSZMZ-UHFFFAOYSA-N
|
| MW [Da] |
142.24
Automatically obtained from RDkit software. |
| LogP |
2.79
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 | 0.9123 |
|---|---|
| Cosine metric | 0.9551 |
| Dice metric | 0.9541 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9204 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.65 |
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|---|---|---|---|---|---|
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Total active interactions
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MM239702
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| Tanimoto metric | 0.8525 |
|---|---|
| Cosine metric | 0.9204 |
| Dice metric | 0.9204 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+420 more
