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DocumentationIdentifier: MM23952
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM23952 |
| SMILES |
CC(F)CC#N
|
| InChIKey |
MFXACTCAPVWMGH-UHFFFAOYSA-N
|
| MW [Da] |
87.1
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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MM97909
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| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 101.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7368 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.76 |
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MM24487
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Similarity to MM24487
| Tanimoto metric | 0.7059 |
|---|---|
| Cosine metric | 0.8281 |
| Dice metric | 0.8276 |
| MW: | 87.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+142 more
