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DocumentationIdentifier: MM456552
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM456552 |
| SMILES |
CN=CNC=COCC#N
|
| InChIKey |
HQBKJWIEDVEBGV-UHFFFAOYSA-N
|
| MW [Da] |
139.16
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM93321
Similarity: 0.8649
Similarity to MM93321
| Tanimoto metric | 0.8649 |
|---|---|
| Cosine metric | 0.93 |
| Dice metric | 0.9275 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92991
Similarity: 0.6957
Similarity to MM92991
| Tanimoto metric | 0.6957 |
|---|---|
| Cosine metric | 0.8216 |
| Dice metric | 0.8205 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM93805
Similarity: 0.6892
Similarity to MM93805
| Tanimoto metric | 0.6892 |
|---|---|
| Cosine metric | 0.8302 |
| Dice metric | 0.816 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+263 more
