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DocumentationIdentifier: MM47481
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47481 |
| SMILES |
CC(C)C(=O)C(F)CO
|
| InChIKey |
HZGMODDSVGCGGC-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM351174
Similarity: 0.7143
Similarity to MM351174
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172915
Similarity: 0.6814
Similarity to MM172915
| Tanimoto metric | 0.6814 |
|---|---|
| Cosine metric | 0.8117 |
| Dice metric | 0.8105 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82633
Similarity: 0.6757
Similarity to MM82633
| Tanimoto metric | 0.6757 |
|---|---|
| Cosine metric | 0.822 |
| Dice metric | 0.8065 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+277 more
