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DocumentationIdentifier: MM388377
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM388377 |
| SMILES |
C#CC(CNC)NC=NC
|
| InChIKey |
ATVMNRRXRZOWTQ-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
-0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM387786
Similarity: 0.7455
Similarity to MM387786
| Tanimoto metric | 0.7455 |
|---|---|
| Cosine metric | 0.8549 |
| Dice metric | 0.8542 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406768
Similarity: 0.7321
Similarity to MM406768
| Tanimoto metric | 0.7321 |
|---|---|
| Cosine metric | 0.8458 |
| Dice metric | 0.8454 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405112
Similarity: 0.7193
Similarity to MM405112
| Tanimoto metric | 0.7193 |
|---|---|
| Cosine metric | 0.8369 |
| Dice metric | 0.8367 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+236 more
