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DocumentationIdentifier: MM317336
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317336 |
| SMILES |
C#CC(=O)OCC(F)CO
|
| InChIKey |
DUNCGBYFCFCJBA-UHFFFAOYSA-N
|
| MW [Da] |
146.12
Automatically obtained from RDkit software. |
| LogP |
-0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144791
Similarity: 0.8364
Similarity to MM144791
| Tanimoto metric | 0.8364 |
|---|---|
| Cosine metric | 0.9145 |
| Dice metric | 0.9109 |
| MW: | 130.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144345
Similarity: 0.7364
Similarity to MM144345
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8581 |
| Dice metric | 0.8482 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM224997
Similarity: 0.6992
Similarity to MM224997
| Tanimoto metric | 0.6992 |
|---|---|
| Cosine metric | 0.8233 |
| Dice metric | 0.823 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+220 more
