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DocumentationIdentifier: MM111593
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111593 |
| SMILES |
CC(CF)N(C)C=O
|
| InChIKey |
XAYTXVKVYZPOIU-UHFFFAOYSA-N
|
| MW [Da] |
119.14
Automatically obtained from RDkit software. |
| LogP |
0.43
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196897
Similarity: 0.875
Similarity to MM196897
| Tanimoto metric | 0.875 |
|---|---|
| Cosine metric | 0.9354 |
| Dice metric | 0.9333 |
| MW: | 137.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM26186
Similarity: 0.6825
Similarity to MM26186
| Tanimoto metric | 0.6825 |
|---|---|
| Cosine metric | 0.8262 |
| Dice metric | 0.8113 |
| MW: | 105.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197003
Similarity: 0.6495
Similarity to MM197003
| Tanimoto metric | 0.6495 |
|---|---|
| Cosine metric | 0.8059 |
| Dice metric | 0.7875 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+293 more
