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DocumentationIdentifier: MM330326
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM330326 |
| SMILES |
C=CC(C#N)OC(=O)CO
|
| InChIKey |
XIBPEYAXZSHJAT-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142291
Similarity: 0.704
Similarity to MM142291
| Tanimoto metric | 0.704 |
|---|---|
| Cosine metric | 0.839 |
| Dice metric | 0.8263 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42977
Similarity: 0.688
Similarity to MM42977
| Tanimoto metric | 0.688 |
|---|---|
| Cosine metric | 0.8295 |
| Dice metric | 0.8152 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM330533
Similarity: 0.6783
Similarity to MM330533
| Tanimoto metric | 0.6783 |
|---|---|
| Cosine metric | 0.809 |
| Dice metric | 0.8083 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+50 more
