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DocumentationIdentifier: MM65722
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM65722 |
| SMILES |
CC(=CC#N)OC(=O)CO
|
| InChIKey |
MILZUACDGQXEGD-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
MM266066
Similarity: 0.6779
Similarity to MM266066
| Tanimoto metric | 0.6779 |
|---|---|
| Cosine metric | 0.808 |
| Dice metric | 0.808 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM67512
Similarity: 0.6387
Similarity to MM67512
| Tanimoto metric | 0.6387 |
|---|---|
| Cosine metric | 0.7796 |
| Dice metric | 0.7795 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM266032
Similarity: 0.6387
Similarity to MM266032
| Tanimoto metric | 0.6387 |
|---|---|
| Cosine metric | 0.7796 |
| Dice metric | 0.7795 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+257 more
