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DocumentationIdentifier: MM378523
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378523 |
| SMILES |
C#CC(C=CC=O)NC=N
|
| InChIKey |
JAGNJTJYGACHPH-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
-0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM70686
Similarity: 0.6797
Similarity to MM70686
| Tanimoto metric | 0.6797 |
|---|---|
| Cosine metric | 0.8097 |
| Dice metric | 0.8093 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM389209
Similarity: 0.6692
Similarity to MM389209
| Tanimoto metric | 0.6692 |
|---|---|
| Cosine metric | 0.8021 |
| Dice metric | 0.8018 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM272859
Similarity: 0.6181
Similarity to MM272859
| Tanimoto metric | 0.6181 |
|---|---|
| Cosine metric | 0.7648 |
| Dice metric | 0.7639 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+47 more
