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DocumentationIdentifier: MM65123
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM65123 |
| SMILES |
C=C(CC#N)OC(=O)CO
|
| InChIKey |
PIVRQLVIOALHSZ-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
MM142667
Similarity: 0.808
Similarity to MM142667
| Tanimoto metric | 0.808 |
|---|---|
| Cosine metric | 0.8989 |
| Dice metric | 0.8938 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246367
Similarity: 0.7055
Similarity to MM246367
| Tanimoto metric | 0.7055 |
|---|---|
| Cosine metric | 0.8273 |
| Dice metric | 0.8273 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263557
Similarity: 0.6939
Similarity to MM263557
| Tanimoto metric | 0.6939 |
|---|---|
| Cosine metric | 0.8193 |
| Dice metric | 0.8193 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+244 more
