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DocumentationIdentifier: MM75969
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM75969 |
| SMILES |
CC(O)C(=CC#N)OC=O
|
| InChIKey |
JLRSNHVXFXMDBU-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM75922
Similarity: 0.6457
Similarity to MM75922
| Tanimoto metric | 0.6457 |
|---|---|
| Cosine metric | 0.7849 |
| Dice metric | 0.7847 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306257
Similarity: 0.6425
Similarity to MM306257
| Tanimoto metric | 0.6425 |
|---|---|
| Cosine metric | 0.7823 |
| Dice metric | 0.7823 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51870
Similarity: 0.6395
Similarity to MM51870
| Tanimoto metric | 0.6395 |
|---|---|
| Cosine metric | 0.7997 |
| Dice metric | 0.7801 |
| MW: | 127.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+22 more
