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DocumentationIdentifier: MM266032
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM266032 |
| SMILES |
CCC(=O)OC(C)=CC#N
|
| InChIKey |
VVBCCSRYRYODER-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM265189
Similarity: 0.7162
Similarity to MM265189
| Tanimoto metric | 0.7162 |
|---|---|
| Cosine metric | 0.8347 |
| Dice metric | 0.8346 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM265924
Similarity: 0.6918
Similarity to MM265924
| Tanimoto metric | 0.6918 |
|---|---|
| Cosine metric | 0.8184 |
| Dice metric | 0.8178 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM247199
Similarity: 0.6757
Similarity to MM247199
| Tanimoto metric | 0.6757 |
|---|---|
| Cosine metric | 0.8069 |
| Dice metric | 0.8065 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+309 more
