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DocumentationIdentifier: MM361233
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM361233 |
| SMILES |
CC(=CC=NN)N(C)C=O
|
| InChIKey |
NVYLHQYUGGFGRS-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM197745
Similarity: 0.7478
Similarity to MM197745
| Tanimoto metric | 0.7478 |
|---|---|
| Cosine metric | 0.8648 |
| Dice metric | 0.8557 |
| MW: | 127.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59746
Similarity: 0.6565
Similarity to MM59746
| Tanimoto metric | 0.6565 |
|---|---|
| Cosine metric | 0.7941 |
| Dice metric | 0.7926 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112261
Similarity: 0.6174
Similarity to MM112261
| Tanimoto metric | 0.6174 |
|---|---|
| Cosine metric | 0.7857 |
| Dice metric | 0.7634 |
| MW: | 113.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+120 more
