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DocumentationIdentifier: MM356656
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM356656 |
| SMILES |
CC(CO)CC=CCC=O
|
| InChIKey |
JQXHUUJWDLXTQX-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM356085
Similarity: 0.7941
Similarity to MM356085
| Tanimoto metric | 0.7941 |
|---|---|
| Cosine metric | 0.8911 |
| Dice metric | 0.8852 |
| MW: | 128.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.97 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356571
Similarity: 0.7714
Similarity to MM356571
| Tanimoto metric | 0.7714 |
|---|---|
| Cosine metric | 0.8751 |
| Dice metric | 0.871 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM356317
Similarity: 0.75
Similarity to MM356317
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8599 |
| Dice metric | 0.8571 |
| MW: | 142.24 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+624 more
