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DocumentationIdentifier: MM229805
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM229805 |
| SMILES |
CC(C)(F)C(C)(C=O)CO
|
| InChIKey |
OAZMRJSUZPFEOO-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
0.93
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM313471
Similarity: 0.6824
Similarity to MM313471
| Tanimoto metric | 0.6824 |
|---|---|
| Cosine metric | 0.8124 |
| Dice metric | 0.8112 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM228855
Similarity: 0.6329
Similarity to MM228855
| Tanimoto metric | 0.6329 |
|---|---|
| Cosine metric | 0.7753 |
| Dice metric | 0.7752 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243719
Similarity: 0.6235
Similarity to MM243719
| Tanimoto metric | 0.6235 |
|---|---|
| Cosine metric | 0.7681 |
| Dice metric | 0.7681 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+101 more
