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DocumentationIdentifier: MM226981
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226981 |
| SMILES |
CCC(=O)CC(F)(F)C#N
|
| InChIKey |
KDZSLXHVJPNBJX-UHFFFAOYSA-N
|
| MW [Da] |
147.12
Automatically obtained from RDkit software. |
| LogP |
1.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130847
Similarity: 0.7967
Similarity to MM130847
| Tanimoto metric | 0.7967 |
|---|---|
| Cosine metric | 0.8926 |
| Dice metric | 0.8869 |
| MW: | 133.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142230
Similarity: 0.7317
Similarity to MM142230
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8554 |
| Dice metric | 0.8451 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262669
Similarity: 0.6767
Similarity to MM262669
| Tanimoto metric | 0.6767 |
|---|---|
| Cosine metric | 0.8115 |
| Dice metric | 0.8072 |
| MW: | 143.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+103 more
