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DocumentationIdentifier: MM236745
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM236745 |
| SMILES |
CC(F)CC(=O)OCCN
|
| InChIKey |
PKGXWXXWCVETOQ-UHFFFAOYSA-N
|
| MW [Da] |
149.17
Automatically obtained from RDkit software. |
| LogP |
0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM135372
Similarity: 0.823
Similarity to MM135372
| Tanimoto metric | 0.823 |
|---|---|
| Cosine metric | 0.9072 |
| Dice metric | 0.9029 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156196
Similarity: 0.708
Similarity to MM156196
| Tanimoto metric | 0.708 |
|---|---|
| Cosine metric | 0.8414 |
| Dice metric | 0.829 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262453
Similarity: 0.7021
Similarity to MM262453
| Tanimoto metric | 0.7021 |
|---|---|
| Cosine metric | 0.8264 |
| Dice metric | 0.825 |
| MW: | 149.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+539 more
