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DocumentationIdentifier: MM165990
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM165990 |
| SMILES |
O=CC(F)COCCO
|
| InChIKey |
VPZDGGYVTRMCTG-UHFFFAOYSA-N
|
| MW [Da] |
136.12
Automatically obtained from RDkit software. |
| LogP |
-0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM363683
Similarity: 0.9012
Similarity to MM363683
| Tanimoto metric | 0.9012 |
|---|---|
| Cosine metric | 0.9493 |
| Dice metric | 0.9481 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15874
Similarity: 0.7143
Similarity to MM15874
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8334 |
| Dice metric | 0.8333 |
| MW: | 134.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15858
Similarity: 0.6854
Similarity to MM15858
| Tanimoto metric | 0.6854 |
|---|---|
| Cosine metric | 0.8136 |
| Dice metric | 0.8133 |
| MW: | 131.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+273 more
