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DocumentationIdentifier: MM374586
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM374586 |
| SMILES |
CC=CC=CCN(C)C=N
|
| InChIKey |
XWGDKHCNKMUZFZ-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
1.66
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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MM168364
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Similarity to MM168364
| Tanimoto metric | 0.913 |
|---|---|
| Cosine metric | 0.9555 |
| Dice metric | 0.9545 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7391 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.85 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM406633
Similarity: 0.7326
Similarity to MM406633
| Tanimoto metric | 0.7326 |
|---|---|
| Cosine metric | 0.848 |
| Dice metric | 0.8456 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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