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DocumentationIdentifier: MM94229
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94229 |
| SMILES |
CC(C#N)C(C#N)OC=O
|
| InChIKey |
VYBGAOUHKPHVSA-UHFFFAOYSA-N
|
| MW [Da] |
138.13
Automatically obtained from RDkit software. |
| LogP |
0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179753
Similarity: 0.7304
Similarity to MM179753
| Tanimoto metric | 0.7304 |
|---|---|
| Cosine metric | 0.8547 |
| Dice metric | 0.8442 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51310
Similarity: 0.713
Similarity to MM51310
| Tanimoto metric | 0.713 |
|---|---|
| Cosine metric | 0.8444 |
| Dice metric | 0.8325 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406856
Similarity: 0.6027
Similarity to MM406856
| Tanimoto metric | 0.6027 |
|---|---|
| Cosine metric | 0.7522 |
| Dice metric | 0.7521 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+77 more
