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DocumentationIdentifier: MM229231
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229231 |
| SMILES |
CCC(C)(CF)CC(=O)O
|
| InChIKey |
AKRDJDXTNPAQGR-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM222083
Similarity: 0.7704
Similarity to MM222083
| Tanimoto metric | 0.7704 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.8703 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149891
Similarity: 0.7679
Similarity to MM149891
| Tanimoto metric | 0.7679 |
|---|---|
| Cosine metric | 0.8763 |
| Dice metric | 0.8687 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130729
Similarity: 0.7321
Similarity to MM130729
| Tanimoto metric | 0.7321 |
|---|---|
| Cosine metric | 0.8557 |
| Dice metric | 0.8454 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+142 more
