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DocumentationIdentifier: MM360325
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360325 |
| SMILES |
CC(=CCCF)COC=O
|
| InChIKey |
VPQPLCWTEQSQDH-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
1.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM360401
Similarity: 0.7009
Similarity to MM360401
| Tanimoto metric | 0.7009 |
|---|---|
| Cosine metric | 0.8242 |
| Dice metric | 0.8242 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM214932
Similarity: 0.663
Similarity to MM214932
| Tanimoto metric | 0.663 |
|---|---|
| Cosine metric | 0.8143 |
| Dice metric | 0.7974 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113877
Similarity: 0.6413
Similarity to MM113877
| Tanimoto metric | 0.6413 |
|---|---|
| Cosine metric | 0.8008 |
| Dice metric | 0.7815 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+229 more
