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DocumentationIdentifier: MM111413
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111413 |
| SMILES |
CC(C=O)(CO)CF
|
| InChIKey |
GQTKIHRZGHMELQ-UHFFFAOYSA-N
|
| MW [Da] |
120.12
Automatically obtained from RDkit software. |
| LogP |
0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196727
Similarity: 0.8194
Similarity to MM196727
| Tanimoto metric | 0.8194 |
|---|---|
| Cosine metric | 0.9052 |
| Dice metric | 0.9008 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139883
Similarity: 0.7195
Similarity to MM139883
| Tanimoto metric | 0.7195 |
|---|---|
| Cosine metric | 0.8482 |
| Dice metric | 0.8369 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM196722
Similarity: 0.6277
Similarity to MM196722
| Tanimoto metric | 0.6277 |
|---|---|
| Cosine metric | 0.7922 |
| Dice metric | 0.7712 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+317 more
