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DocumentationIdentifier: MM138326
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM138326 |
| SMILES |
C=CC(C)(C)CCCC
|
| InChIKey |
WETAFQBUDAJCAM-UHFFFAOYSA-N
|
| MW [Da] |
126.24
Automatically obtained from RDkit software. |
| LogP |
3.39
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 | 0.9286 |
|---|---|
| Cosine metric | 0.9636 |
| Dice metric | 0.963 |
| MW: | 138.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 3
Total passive interactions
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| LogP: | 3.63 |
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Total active interactions
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MM239590
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| Tanimoto metric | 0.8966 |
|---|---|
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 3.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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