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DocumentationIdentifier: MM172912
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM172912 |
| SMILES |
O=C(CCO)C(O)CF
|
| InChIKey |
YUDNSUXWZNERQG-UHFFFAOYSA-N
|
| MW [Da] |
136.12
Automatically obtained from RDkit software. |
| LogP |
-0.73
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM297200
Similarity: 0.7742
Similarity to MM297200
| Tanimoto metric | 0.7742 |
|---|---|
| Cosine metric | 0.8799 |
| Dice metric | 0.8727 |
| MW: | 154.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM111718
Similarity: 0.7708
Similarity to MM111718
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.8706 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350070
Similarity: 0.6917
Similarity to MM350070
| Tanimoto metric | 0.6917 |
|---|---|
| Cosine metric | 0.8189 |
| Dice metric | 0.8177 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+378 more
