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DocumentationIdentifier: MM77369
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77369 |
| SMILES |
CC(C#N)(C#N)COC=O
|
| InChIKey |
FLKGCHMEPRUCOS-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
MM138434
Similarity: 0.85
Similarity to MM138434
| Tanimoto metric | 0.85 |
|---|---|
| Cosine metric | 0.922 |
| Dice metric | 0.9189 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112879
Similarity: 0.675
Similarity to MM112879
| Tanimoto metric | 0.675 |
|---|---|
| Cosine metric | 0.8216 |
| Dice metric | 0.806 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228181
Similarity: 0.6538
Similarity to MM228181
| Tanimoto metric | 0.6538 |
|---|---|
| Cosine metric | 0.7926 |
| Dice metric | 0.7907 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+58 more
