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DocumentationIdentifier: MM156245
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM156245 |
| SMILES |
C=C(CCC)COC=O
|
| InChIKey |
YYJVULQANHOESX-UHFFFAOYSA-N
|
| MW [Da] |
128.17
Automatically obtained from RDkit software. |
| LogP |
1.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113180
Similarity: 0.8026
Similarity to MM113180
| Tanimoto metric | 0.8026 |
|---|---|
| Cosine metric | 0.8959 |
| Dice metric | 0.8905 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156502
Similarity: 0.6966
Similarity to MM156502
| Tanimoto metric | 0.6966 |
|---|---|
| Cosine metric | 0.8212 |
| Dice metric | 0.8212 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM45896
Similarity: 0.6854
Similarity to MM45896
| Tanimoto metric | 0.6854 |
|---|---|
| Cosine metric | 0.8134 |
| Dice metric | 0.8133 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+118 more
