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DocumentationIdentifier: MM360401
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360401 |
| SMILES |
CC(=CCC=O)COC=O
|
| InChIKey |
JLLFHCJWKQFXQS-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM360325
Similarity: 0.7009
Similarity to MM360325
| Tanimoto metric | 0.7009 |
|---|---|
| Cosine metric | 0.8242 |
| Dice metric | 0.8242 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113877
Similarity: 0.6556
Similarity to MM113877
| Tanimoto metric | 0.6556 |
|---|---|
| Cosine metric | 0.8097 |
| Dice metric | 0.7919 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM215005
Similarity: 0.6556
Similarity to MM215005
| Tanimoto metric | 0.6556 |
|---|---|
| Cosine metric | 0.8097 |
| Dice metric | 0.7919 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+221 more
