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DocumentationIdentifier: MM87271
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87271 |
| SMILES |
N#CC(N)=C(C#N)NC=O
|
| InChIKey |
WLJRXWKOEDTVIV-UHFFFAOYSA-N
|
| MW [Da] |
136.11
Automatically obtained from RDkit software. |
| LogP |
-1.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180893
Similarity: 0.8516
Similarity to MM180893
| Tanimoto metric | 0.8516 |
|---|---|
| Cosine metric | 0.9228 |
| Dice metric | 0.9198 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385238
Similarity: 0.8214
Similarity to MM385238
| Tanimoto metric | 0.8214 |
|---|---|
| Cosine metric | 0.902 |
| Dice metric | 0.902 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51991
Similarity: 0.7031
Similarity to MM51991
| Tanimoto metric | 0.7031 |
|---|---|
| Cosine metric | 0.8385 |
| Dice metric | 0.8257 |
| MW: | 121.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+92 more
