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DocumentationIdentifier: MM333255
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM333255 |
| SMILES |
CCC(=O)CC(=CF)OC
|
| InChIKey |
WPZABAOZRCFTJF-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
1.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150392
Similarity: 0.797
Similarity to MM150392
| Tanimoto metric | 0.797 |
|---|---|
| Cosine metric | 0.8927 |
| Dice metric | 0.887 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142557
Similarity: 0.6917
Similarity to MM142557
| Tanimoto metric | 0.6917 |
|---|---|
| Cosine metric | 0.8317 |
| Dice metric | 0.8178 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273177
Similarity: 0.6772
Similarity to MM273177
| Tanimoto metric | 0.6772 |
|---|---|
| Cosine metric | 0.8076 |
| Dice metric | 0.8075 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+90 more
