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DocumentationIdentifier: MM223916
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223916 |
| SMILES |
CC(C#N)C(=O)C(C)(C)F
|
| InChIKey |
HPBCWNKCEVKBLV-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
1.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM02173
Similarity: 0.731
Similarity to MM02173
| Tanimoto metric | 0.731 |
|---|---|
| Cosine metric | 0.8454 |
| Dice metric | 0.8446 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM118758
Similarity: 0.7303
Similarity to MM118758
| Tanimoto metric | 0.7303 |
|---|---|
| Cosine metric | 0.8441 |
| Dice metric | 0.8441 |
| MW: | 140.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM02079
Similarity: 0.6424
Similarity to MM02079
| Tanimoto metric | 0.6424 |
|---|---|
| Cosine metric | 0.7827 |
| Dice metric | 0.7823 |
| MW: | 143.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+108 more
