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DocumentationIdentifier: MM78561
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78561 |
| SMILES |
C=CC(=O)OCC(O)CF
|
| InChIKey |
MNADOJVPSUQHEL-UHFFFAOYSA-N
|
| MW [Da] |
148.13
Automatically obtained from RDkit software. |
| LogP |
0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144767
Similarity: 0.7807
Similarity to MM144767
| Tanimoto metric | 0.7807 |
|---|---|
| Cosine metric | 0.8836 |
| Dice metric | 0.8768 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM144335
Similarity: 0.7632
Similarity to MM144335
| Tanimoto metric | 0.7632 |
|---|---|
| Cosine metric | 0.8736 |
| Dice metric | 0.8657 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM317147
Similarity: 0.7077
Similarity to MM317147
| Tanimoto metric | 0.7077 |
|---|---|
| Cosine metric | 0.8291 |
| Dice metric | 0.8288 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+207 more
