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DocumentationIdentifier: MM226786
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226786 |
| SMILES |
CCC(=O)NC(C)(C)CF
|
| InChIKey |
BMYZRWLQGMAFIY-UHFFFAOYSA-N
|
| MW [Da] |
147.19
Automatically obtained from RDkit software. |
| LogP |
1.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40087
Similarity: 0.787
Similarity to MM40087
| Tanimoto metric | 0.787 |
|---|---|
| Cosine metric | 0.8872 |
| Dice metric | 0.8808 |
| MW: | 133.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328665
Similarity: 0.6496
Similarity to MM328665
| Tanimoto metric | 0.6496 |
|---|---|
| Cosine metric | 0.7884 |
| Dice metric | 0.7876 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM297008
Similarity: 0.6481
Similarity to MM297008
| Tanimoto metric | 0.6481 |
|---|---|
| Cosine metric | 0.8051 |
| Dice metric | 0.7865 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+423 more
