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DocumentationIdentifier: MM40087
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM40087 |
| SMILES |
CC(=O)NC(C)(C)CF
|
| InChIKey |
KTMWSTKPLKYFDI-UHFFFAOYSA-N
|
| MW [Da] |
133.17
Automatically obtained from RDkit software. |
| LogP |
0.87
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM226786
Similarity: 0.787
Similarity to MM226786
| Tanimoto metric | 0.787 |
|---|---|
| Cosine metric | 0.8872 |
| Dice metric | 0.8808 |
| MW: | 147.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM289812
Similarity: 0.7589
Similarity to MM289812
| Tanimoto metric | 0.7589 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.8629 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM149936
Similarity: 0.6842
Similarity to MM149936
| Tanimoto metric | 0.6842 |
|---|---|
| Cosine metric | 0.8141 |
| Dice metric | 0.8125 |
| MW: | 137.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+278 more
