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DocumentationIdentifier: MM333839
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM333839 |
| SMILES |
C=CC(=O)NC(=CC)CN
|
| InChIKey |
GAGCSJDXWCTNEW-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150412
Similarity: 0.7687
Similarity to MM150412
| Tanimoto metric | 0.7687 |
|---|---|
| Cosine metric | 0.8767 |
| Dice metric | 0.8692 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM143182
Similarity: 0.7388
Similarity to MM143182
| Tanimoto metric | 0.7388 |
|---|---|
| Cosine metric | 0.8595 |
| Dice metric | 0.8498 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264455
Similarity: 0.7047
Similarity to MM264455
| Tanimoto metric | 0.7047 |
|---|---|
| Cosine metric | 0.828 |
| Dice metric | 0.8268 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+91 more
