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DocumentationIdentifier: MM107700
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM107700 |
| SMILES |
CC#CC(F)CC#N
|
| InChIKey |
TWGJGYBWKROPTM-UHFFFAOYSA-N
|
| MW [Da] |
111.12
Automatically obtained from RDkit software. |
| LogP |
1.26
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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MM46917
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| Tanimoto metric | 0.8592 |
|---|---|
| Cosine metric | 0.9269 |
| Dice metric | 0.9242 |
| MW: | 122.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.65 |
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MM158436
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|---|---|
| Cosine metric | 0.8901 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.87 |
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Total active interactions
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+541 more
