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DocumentationIdentifier: MM220743
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM220743 |
| SMILES |
CC(F)C(C=O)C(C)(C)C
|
| InChIKey |
IHEJQBDXMKHWHT-UHFFFAOYSA-N
|
| MW [Da] |
146.21
Automatically obtained from RDkit software. |
| LogP |
2.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180969
Similarity: 0.8119
Similarity to MM180969
| Tanimoto metric | 0.8119 |
|---|---|
| Cosine metric | 0.901 |
| Dice metric | 0.8962 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM220752
Similarity: 0.6833
Similarity to MM220752
| Tanimoto metric | 0.6833 |
|---|---|
| Cosine metric | 0.8119 |
| Dice metric | 0.8119 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244322
Similarity: 0.6797
Similarity to MM244322
| Tanimoto metric | 0.6797 |
|---|---|
| Cosine metric | 0.8108 |
| Dice metric | 0.8093 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+274 more
