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DocumentationIdentifier: MM227093
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227093 |
| SMILES |
C=CC(=N)NC(C)(C)C=C
|
| InChIKey |
UVLDKNNYVYVONO-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.7
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 | 0.8317 |
|---|---|
| Cosine metric | 0.912 |
| Dice metric | 0.9081 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
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| PI: | 2
Total passive interactions
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| LogP: | 1.31 |
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MM229519
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Similarity to MM229519
| Tanimoto metric | 0.7241 |
|---|---|
| Cosine metric | 0.84 |
| Dice metric | 0.84 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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