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DocumentationIdentifier: MM76614
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM76614 |
| SMILES |
C#CC(C)C(F)(CO)CO
|
| InChIKey |
RVVXRCSNAUVZOK-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
-0.05
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 | 0.7778 |
|---|---|
| Cosine metric | 0.875 |
| Dice metric | 0.875 |
| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7101 |
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| Cosine metric | 0.8316 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.37 |
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Total active interactions
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| Tanimoto metric | 0.6712 |
|---|---|
| Cosine metric | 0.806 |
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| MW: | 140.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+382 more
