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DocumentationIdentifier: MM386344
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386344 |
| SMILES |
C=CC(=CCC#N)NC=N
|
| InChIKey |
DDUZJIYPTTYSPL-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
MM274438
Similarity: 0.6917
Similarity to MM274438
| Tanimoto metric | 0.6917 |
|---|---|
| Cosine metric | 0.818 |
| Dice metric | 0.8178 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90076
Similarity: 0.6667
Similarity to MM90076
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8 |
| Dice metric | 0.8 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM89744
Similarity: 0.6619
Similarity to MM89744
| Tanimoto metric | 0.6619 |
|---|---|
| Cosine metric | 0.7965 |
| Dice metric | 0.7965 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+142 more
