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DocumentationIdentifier: MM15831
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15831 |
| SMILES |
CC(C=O)OC(C#N)C#N
|
| InChIKey |
GHROQGUHIPMMLC-UHFFFAOYSA-N
|
| MW [Da] |
138.13
Automatically obtained from RDkit software. |
| LogP |
0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM42801
Similarity: 0.9067
Similarity to MM42801
| Tanimoto metric | 0.9067 |
|---|---|
| Cosine metric | 0.9522 |
| Dice metric | 0.951 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15833
Similarity: 0.8193
Similarity to MM15833
| Tanimoto metric | 0.8193 |
|---|---|
| Cosine metric | 0.9007 |
| Dice metric | 0.9007 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM199289
Similarity: 0.8133
Similarity to MM199289
| Tanimoto metric | 0.8133 |
|---|---|
| Cosine metric | 0.9018 |
| Dice metric | 0.8971 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+263 more
