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DocumentationIdentifier: MM280886
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM280886 |
| SMILES |
C=CC=CNC(=N)C#CC
|
| InChIKey |
MEJPKTCUNKKEBX-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157606
Similarity: 0.8646
Similarity to MM157606
| Tanimoto metric | 0.8646 |
|---|---|
| Cosine metric | 0.9298 |
| Dice metric | 0.9274 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM74045
Similarity: 0.783
Similarity to MM74045
| Tanimoto metric | 0.783 |
|---|---|
| Cosine metric | 0.8784 |
| Dice metric | 0.8783 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63938
Similarity: 0.7685
Similarity to MM63938
| Tanimoto metric | 0.7685 |
|---|---|
| Cosine metric | 0.8691 |
| Dice metric | 0.8691 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+283 more
