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DocumentationIdentifier: MM234733
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM234733 |
| SMILES |
CC(=O)C(C)(C)C(F)C=O
|
| InChIKey |
GHJUCAPYBLWQKO-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
1.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM132911
Similarity: 0.7594
Similarity to MM132911
| Tanimoto metric | 0.7594 |
|---|---|
| Cosine metric | 0.8714 |
| Dice metric | 0.8632 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160232
Similarity: 0.7368
Similarity to MM160232
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.8584 |
| Dice metric | 0.8485 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225641
Similarity: 0.6558
Similarity to MM225641
| Tanimoto metric | 0.6558 |
|---|---|
| Cosine metric | 0.7929 |
| Dice metric | 0.7922 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+68 more
