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DocumentationIdentifier: MM223881
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223881 |
| SMILES |
CC(C)(O)C(=O)C(F)CO
|
| InChIKey |
ABUTYLSDTNKJDH-UHFFFAOYSA-N
|
| MW [Da] |
150.15
Automatically obtained from RDkit software. |
| LogP |
-0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM39930
Similarity: 0.7546
Similarity to MM39930
| Tanimoto metric | 0.7546 |
|---|---|
| Cosine metric | 0.8687 |
| Dice metric | 0.8601 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160790
Similarity: 0.7423
Similarity to MM160790
| Tanimoto metric | 0.7423 |
|---|---|
| Cosine metric | 0.8616 |
| Dice metric | 0.8521 |
| MW: | 136.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223880
Similarity: 0.6911
Similarity to MM223880
| Tanimoto metric | 0.6911 |
|---|---|
| Cosine metric | 0.8174 |
| Dice metric | 0.8173 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+99 more
