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DocumentationIdentifier: MM288903
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM288903 |
| SMILES |
CC(=O)OC=CC=CC#N
|
| InChIKey |
NWRNHRUMXXXGFU-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
1.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215635
Similarity: 0.7317
Similarity to MM215635
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8554 |
| Dice metric | 0.8451 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM288919
Similarity: 0.7083
Similarity to MM288919
| Tanimoto metric | 0.7083 |
|---|---|
| Cosine metric | 0.8293 |
| Dice metric | 0.8293 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM375007
Similarity: 0.6869
Similarity to MM375007
| Tanimoto metric | 0.6869 |
|---|---|
| Cosine metric | 0.8145 |
| Dice metric | 0.8144 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+258 more
