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DocumentationIdentifier: MM265282
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM265282 |
| SMILES |
CC=C(C)NC(=O)C=CN
|
| InChIKey |
YGUXZUUWCUWRME-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM143182
Similarity: 0.8182
Similarity to MM143182
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60045
Similarity: 0.7218
Similarity to MM60045
| Tanimoto metric | 0.7218 |
|---|---|
| Cosine metric | 0.8398 |
| Dice metric | 0.8384 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM334443
Similarity: 0.6918
Similarity to MM334443
| Tanimoto metric | 0.6918 |
|---|---|
| Cosine metric | 0.818 |
| Dice metric | 0.8178 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+386 more
