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DocumentationIdentifier: MM23883
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM23883 |
| SMILES |
CC(C)(F)C=O
|
| InChIKey |
GLXZRTVCHHTNIY-UHFFFAOYSA-N
|
| MW [Da] |
90.1
Automatically obtained from RDkit software. |
| LogP |
0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM25762
Similarity: 0.7778
Similarity to MM25762
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 104.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM23594
Similarity: 0.7143
Similarity to MM23594
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 76.07 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM16569
Similarity: 0.625
Similarity to MM16569
| Tanimoto metric | 0.625 |
|---|---|
| Cosine metric | 0.7715 |
| Dice metric | 0.7692 |
| MW: | 90.05 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+91 more
