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DocumentationIdentifier: MM95510
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM95510 |
| SMILES |
CC=C(OC=O)C(O)C#N
|
| InChIKey |
WLFRTKVCDSRQTE-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: 0.6175
Similarity to MM75922
| Tanimoto metric | 0.6175 |
|---|---|
| Cosine metric | 0.7644 |
| Dice metric | 0.7635 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM381583
Similarity: 0.5816
Similarity to MM381583
| Tanimoto metric | 0.5816 |
|---|---|
| Cosine metric | 0.7355 |
| Dice metric | 0.7355 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304437
Similarity: 0.5549
Similarity to MM304437
| Tanimoto metric | 0.5549 |
|---|---|
| Cosine metric | 0.7222 |
| Dice metric | 0.7138 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+24 more
