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DocumentationIdentifier: MM264561
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM264561 |
| SMILES |
C=CC(=C)NC(=O)C=CN
|
| InChIKey |
UBROAUNJTFPGAM-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142824
Similarity: 0.7965
Similarity to MM142824
| Tanimoto metric | 0.7965 |
|---|---|
| Cosine metric | 0.8924 |
| Dice metric | 0.8867 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60045
Similarity: 0.7402
Similarity to MM60045
| Tanimoto metric | 0.7402 |
|---|---|
| Cosine metric | 0.8509 |
| Dice metric | 0.8507 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264551
Similarity: 0.6716
Similarity to MM264551
| Tanimoto metric | 0.6716 |
|---|---|
| Cosine metric | 0.8036 |
| Dice metric | 0.8036 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+280 more
