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DocumentationIdentifier: MM171993
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM171993 |
| SMILES |
CC(OC=O)C(O)CF
|
| InChIKey |
ASQUQSFSMBUCEW-UHFFFAOYSA-N
|
| MW [Da] |
136.12
Automatically obtained from RDkit software. |
| LogP |
-0.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM376550
Similarity: 0.6812
Similarity to MM376550
| Tanimoto metric | 0.6812 |
|---|---|
| Cosine metric | 0.8253 |
| Dice metric | 0.8103 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM377140
Similarity: 0.6763
Similarity to MM377140
| Tanimoto metric | 0.6763 |
|---|---|
| Cosine metric | 0.8223 |
| Dice metric | 0.8069 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34391
Similarity: 0.6489
Similarity to MM34391
| Tanimoto metric | 0.6489 |
|---|---|
| Cosine metric | 0.8056 |
| Dice metric | 0.7871 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+310 more
