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DocumentationIdentifier: MM280427
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280427 |
| SMILES |
C=CCC(=N)NC=CC#N
|
| InChIKey |
XATYWGXGBLWETN-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
1.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM156942
Similarity: 0.83
Similarity to MM156942
| Tanimoto metric | 0.83 |
|---|---|
| Cosine metric | 0.911 |
| Dice metric | 0.9071 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168651
Similarity: 0.82
Similarity to MM168651
| Tanimoto metric | 0.82 |
|---|---|
| Cosine metric | 0.9055 |
| Dice metric | 0.9011 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM280319
Similarity: 0.7615
Similarity to MM280319
| Tanimoto metric | 0.7615 |
|---|---|
| Cosine metric | 0.8653 |
| Dice metric | 0.8646 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+140 more
