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DocumentationIdentifier: MM54428
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM54428 |
| SMILES |
C#CCNC=NC=CC=O
|
| InChIKey |
YLSTYWKUZYBJFS-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
-0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215393
Similarity: 0.8243
Similarity to MM215393
| Tanimoto metric | 0.8243 |
|---|---|
| Cosine metric | 0.9079 |
| Dice metric | 0.9037 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM453144
Similarity: 0.7262
Similarity to MM453144
| Tanimoto metric | 0.7262 |
|---|---|
| Cosine metric | 0.8416 |
| Dice metric | 0.8414 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM452877
Similarity: 0.7093
Similarity to MM452877
| Tanimoto metric | 0.7093 |
|---|---|
| Cosine metric | 0.83 |
| Dice metric | 0.8299 |
| MW: | 136.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+216 more
