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DocumentationIdentifier: MM142768
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM142768 |
| SMILES |
C=C(C#N)OC(=O)CC
|
| InChIKey |
APVLJOLVXJCVNH-UHFFFAOYSA-N
|
| MW [Da] |
125.13
Automatically obtained from RDkit software. |
| LogP |
0.98
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM263746
Similarity: 0.8182
Similarity to MM263746
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263654
Similarity: 0.8049
Similarity to MM263654
| Tanimoto metric | 0.8049 |
|---|---|
| Cosine metric | 0.8971 |
| Dice metric | 0.8919 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM263769
Similarity: 0.7857
Similarity to MM263769
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 135.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+224 more
