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DocumentationIdentifier: MM307713
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM307713 |
| SMILES |
OCCCC(F)(CO)CO
|
| InChIKey |
XAUHOAXUNUEXHT-UHFFFAOYSA-N
|
| MW [Da] |
152.17
Automatically obtained from RDkit software. |
| LogP |
-0.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41789
Similarity: 0.8571
Similarity to MM41789
| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 136.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM325730
Similarity: 0.72
Similarity to MM325730
| Tanimoto metric | 0.72 |
|---|---|
| Cosine metric | 0.8386 |
| Dice metric | 0.8372 |
| MW: | 152.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM77079
Similarity: 0.7196
Similarity to MM77079
| Tanimoto metric | 0.7196 |
|---|---|
| Cosine metric | 0.837 |
| Dice metric | 0.837 |
| MW: | 150.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+497 more
