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DocumentationIdentifier: MM320694
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM320694 |
| SMILES |
C=CC(=C)CNC(C)=NC
|
| InChIKey |
FWFOVFZVWWYKDM-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.37
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 | 0.7807 |
|---|---|
| Cosine metric | 0.8836 |
| Dice metric | 0.8768 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7719 |
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| Cosine metric | 0.8786 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM251905
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Similarity to MM251905
| Tanimoto metric | 0.6899 |
|---|---|
| Cosine metric | 0.8174 |
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| MW: | 140.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+77 more
