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DocumentationIdentifier: MM309765
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM309765 |
| SMILES |
C#CC(F)(C#C)CCC#N
|
| InChIKey |
VAGJGNRRBCAYPP-UHFFFAOYSA-N
|
| MW [Da] |
135.14
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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| Tanimoto metric | 0.8776 |
|---|---|
| Cosine metric | 0.9368 |
| Dice metric | 0.9348 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.04 |
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Total active interactions
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MM226599
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| Tanimoto metric | 0.6935 |
|---|---|
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| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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