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DocumentationIdentifier: MM41535
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM41535 |
| SMILES |
CC(O)(C#N)C(F)CO
|
| InChIKey |
YYAVBLKIHWGRIW-UHFFFAOYSA-N
|
| MW [Da] |
133.12
Automatically obtained from RDkit software. |
| LogP |
-0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM103284
Similarity: 0.7311
Similarity to MM103284
| Tanimoto metric | 0.7311 |
|---|---|
| Cosine metric | 0.855 |
| Dice metric | 0.8447 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42590
Similarity: 0.635
Similarity to MM42590
| Tanimoto metric | 0.635 |
|---|---|
| Cosine metric | 0.7783 |
| Dice metric | 0.7768 |
| MW: | 128.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM139350
Similarity: 0.635
Similarity to MM139350
| Tanimoto metric | 0.635 |
|---|---|
| Cosine metric | 0.7783 |
| Dice metric | 0.7768 |
| MW: | 133.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+310 more
