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DocumentationIdentifier: MM130144
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM130144 |
| SMILES |
CCC(=O)CC(F)(F)F
|
| InChIKey |
YBTCBNQUROAZJL-UHFFFAOYSA-N
|
| MW [Da] |
140.1
Automatically obtained from RDkit software. |
| LogP |
1.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM102449
Similarity: 0.7937
Similarity to MM102449
| Tanimoto metric | 0.7937 |
|---|---|
| Cosine metric | 0.8909 |
| Dice metric | 0.885 |
| MW: | 126.08 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104437
Similarity: 0.7937
Similarity to MM104437
| Tanimoto metric | 0.7937 |
|---|---|
| Cosine metric | 0.8909 |
| Dice metric | 0.885 |
| MW: | 122.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM221223
Similarity: 0.759
Similarity to MM221223
| Tanimoto metric | 0.759 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.863 |
| MW: | 152.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+176 more
