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DocumentationIdentifier: MM253805
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253805 |
| SMILES |
CC(C(=O)O)C(C)C(F)F
|
| InChIKey |
GXCWXJJREIDDNE-UHFFFAOYSA-N
|
| MW [Da] |
152.14
Automatically obtained from RDkit software. |
| LogP |
1.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133549
Similarity: 0.6967
Similarity to MM133549
| Tanimoto metric | 0.6967 |
|---|---|
| Cosine metric | 0.8347 |
| Dice metric | 0.8213 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM225549
Similarity: 0.6327
Similarity to MM225549
| Tanimoto metric | 0.6327 |
|---|---|
| Cosine metric | 0.7751 |
| Dice metric | 0.775 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM308091
Similarity: 0.6275
Similarity to MM308091
| Tanimoto metric | 0.6275 |
|---|---|
| Cosine metric | 0.7712 |
| Dice metric | 0.7711 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+238 more
