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DocumentationIdentifier: MM253722
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253722 |
| SMILES |
CC(=CC=C(F)F)CC#N
|
| InChIKey |
ADOZHZIAKHXGBX-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
2.63
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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MM159695
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Similarity to MM159695
| Tanimoto metric | 0.8471 |
|---|---|
| Cosine metric | 0.9204 |
| Dice metric | 0.9172 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM146746
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| Tanimoto metric | 0.7412 |
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| Cosine metric | 0.8609 |
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| MW: | 132.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.12 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM253720
Similarity: 0.6667
Similarity to MM253720
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8012 |
| Dice metric | 0.8 |
| MW: | 139.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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