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DocumentationIdentifier: MM313554
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM313554 |
| SMILES |
O=CC(C=O)(CO)C(F)F
|
| InChIKey |
QMLYSCKHTZBUTA-UHFFFAOYSA-N
|
| MW [Da] |
152.1
Automatically obtained from RDkit software. |
| LogP |
-0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM139883
Similarity: 0.8454
Similarity to MM139883
| Tanimoto metric | 0.8454 |
|---|---|
| Cosine metric | 0.9194 |
| Dice metric | 0.9162 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313477
Similarity: 0.7387
Similarity to MM313477
| Tanimoto metric | 0.7387 |
|---|---|
| Cosine metric | 0.8498 |
| Dice metric | 0.8497 |
| MW: | 154.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111413
Similarity: 0.6082
Similarity to MM111413
| Tanimoto metric | 0.6082 |
|---|---|
| Cosine metric | 0.7799 |
| Dice metric | 0.7564 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+72 more
