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DocumentationIdentifier: MM274713
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274713 |
| SMILES |
C=CC(=CC(=C)F)CC#N
|
| InChIKey |
OFQKOCDUNBNWMA-UHFFFAOYSA-N
|
| MW [Da] |
137.16
Automatically obtained from RDkit software. |
| LogP |
2.5
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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MM136489
Similarity: 0.7373
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| Tanimoto metric | 0.7373 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8488 |
| MW: | 125.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM151039
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| Tanimoto metric | 0.7373 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8488 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.99 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM274711
Similarity: 0.6642
Similarity to MM274711
| Tanimoto metric | 0.6642 |
|---|---|
| Cosine metric | 0.7996 |
| Dice metric | 0.7982 |
| MW: | 138.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 3.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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