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DocumentationIdentifier: MM58816
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58816 |
| SMILES |
C=CCC(C)(F)C(=O)CO
|
| InChIKey |
ZSNWLIKLWXTMCR-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM137785
Similarity: 0.7296
Similarity to MM137785
| Tanimoto metric | 0.7296 |
|---|---|
| Cosine metric | 0.8541 |
| Dice metric | 0.8436 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM40516
Similarity: 0.6855
Similarity to MM40516
| Tanimoto metric | 0.6855 |
|---|---|
| Cosine metric | 0.828 |
| Dice metric | 0.8134 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50114
Similarity: 0.6604
Similarity to MM50114
| Tanimoto metric | 0.6604 |
|---|---|
| Cosine metric | 0.8126 |
| Dice metric | 0.7955 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+107 more
