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DocumentationIdentifier: MM66780
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM66780 |
| SMILES |
COCC(C=O)CC(C)F
|
| InChIKey |
XAWNQWGBVMCAEG-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44402
Similarity: 0.7876
Similarity to MM44402
| Tanimoto metric | 0.7876 |
|---|---|
| Cosine metric | 0.8875 |
| Dice metric | 0.8812 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM327032
Similarity: 0.6593
Similarity to MM327032
| Tanimoto metric | 0.6593 |
|---|---|
| Cosine metric | 0.7947 |
| Dice metric | 0.7946 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM326644
Similarity: 0.6569
Similarity to MM326644
| Tanimoto metric | 0.6569 |
|---|---|
| Cosine metric | 0.793 |
| Dice metric | 0.793 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+176 more
