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DocumentationIdentifier: MM87269
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87269 |
| SMILES |
C=CC(N)=C(C#N)NC=O
|
| InChIKey |
NHZFEDFJSOYPBI-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.39
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: 0.7569
Similarity to MM180893
| Tanimoto metric | 0.7569 |
|---|---|
| Cosine metric | 0.87 |
| Dice metric | 0.8617 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM385238
Similarity: 0.6832
Similarity to MM385238
| Tanimoto metric | 0.6832 |
|---|---|
| Cosine metric | 0.8134 |
| Dice metric | 0.8118 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87271
Similarity: 0.679
Similarity to MM87271
| Tanimoto metric | 0.679 |
|---|---|
| Cosine metric | 0.8102 |
| Dice metric | 0.8088 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+26 more
