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DocumentationIdentifier: MM131030
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM131030 |
| SMILES |
CC(C)(C=O)C(F)(F)F
|
| InChIKey |
WJJZHSXJQPNZOY-UHFFFAOYSA-N
|
| MW [Da] |
140.1
Automatically obtained from RDkit software. |
| LogP |
1.77
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103282
Similarity: 0.7778
Similarity to MM103282
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8819 |
| Dice metric | 0.875 |
| MW: | 122.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229843
Similarity: 0.63
Similarity to MM229843
| Tanimoto metric | 0.63 |
|---|---|
| Cosine metric | 0.7937 |
| Dice metric | 0.773 |
| MW: | 151.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM313622
Similarity: 0.6203
Similarity to MM313622
| Tanimoto metric | 0.6203 |
|---|---|
| Cosine metric | 0.7657 |
| Dice metric | 0.7656 |
| MW: | 150.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+157 more
