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DocumentationIdentifier: MM51308
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM51308 |
| SMILES |
C=COC(C#N)CC#N
|
| InChIKey |
MKKVKZHRKRLIPE-UHFFFAOYSA-N
|
| MW [Da] |
122.13
Automatically obtained from RDkit software. |
| LogP |
0.95
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM88080
Similarity: 0.8039
Similarity to MM88080
| Tanimoto metric | 0.8039 |
|---|---|
| Cosine metric | 0.8966 |
| Dice metric | 0.8913 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388274
Similarity: 0.7885
Similarity to MM388274
| Tanimoto metric | 0.7885 |
|---|---|
| Cosine metric | 0.888 |
| Dice metric | 0.8817 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116090
Similarity: 0.7805
Similarity to MM116090
| Tanimoto metric | 0.7805 |
|---|---|
| Cosine metric | 0.8835 |
| Dice metric | 0.8767 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+343 more
