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DocumentationIdentifier: MM200833
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM200833 |
| SMILES |
C=CC=CN(C=C)C=N
|
| InChIKey |
DSYOLMQPGKTBQN-UHFFFAOYSA-N
|
| MW [Da] |
122.17
Automatically obtained from RDkit software. |
| LogP |
1.74
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 | 0.7612 |
|---|---|
| Cosine metric | 0.8725 |
| Dice metric | 0.8644 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6837 |
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| Cosine metric | 0.8268 |
| Dice metric | 0.8121 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM344045
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Similarity to MM344045
| Tanimoto metric | 0.6837 |
|---|---|
| Cosine metric | 0.8268 |
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| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+181 more
