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DocumentationIdentifier: MM312889
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312889 |
| SMILES |
C=CC(C=C)(CN)OC=O
|
| InChIKey |
KQXASLPFDMHTCI-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM64354
Similarity: 0.8448
Similarity to MM64354
| Tanimoto metric | 0.8448 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9159 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68677
Similarity: 0.6735
Similarity to MM68677
| Tanimoto metric | 0.6735 |
|---|---|
| Cosine metric | 0.8062 |
| Dice metric | 0.8049 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58973
Similarity: 0.5833
Similarity to MM58973
| Tanimoto metric | 0.5833 |
|---|---|
| Cosine metric | 0.7429 |
| Dice metric | 0.7368 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+105 more
