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DocumentationIdentifier: MM26963
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM26963 |
| SMILES |
CC(F)C(O)CO
|
| InChIKey |
JXKCZGVXKWNORJ-UHFFFAOYSA-N
|
| MW [Da] |
108.11
Automatically obtained from RDkit software. |
| LogP |
-0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM111508
Similarity: 0.7576
Similarity to MM111508
| Tanimoto metric | 0.7576 |
|---|---|
| Cosine metric | 0.8704 |
| Dice metric | 0.8621 |
| MW: | 124.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111507
Similarity: 0.7353
Similarity to MM111507
| Tanimoto metric | 0.7353 |
|---|---|
| Cosine metric | 0.8575 |
| Dice metric | 0.8475 |
| MW: | 122.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34363
Similarity: 0.7042
Similarity to MM34363
| Tanimoto metric | 0.7042 |
|---|---|
| Cosine metric | 0.8392 |
| Dice metric | 0.8264 |
| MW: | 122.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+582 more
