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DocumentationIdentifier: MM150262
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM150262 |
| SMILES |
CC(C)OC(=CF)CO
|
| InChIKey |
ATQJEAQMSVGMJS-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM224372
Similarity: 0.8515
Similarity to MM224372
| Tanimoto metric | 0.8515 |
|---|---|
| Cosine metric | 0.9228 |
| Dice metric | 0.9198 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116430
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| Tanimoto metric | 0.7791 |
|---|---|
| Cosine metric | 0.8826 |
| Dice metric | 0.8758 |
| MW: | 120.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM332037
Similarity: 0.7478
Similarity to MM332037
| Tanimoto metric | 0.7478 |
|---|---|
| Cosine metric | 0.8648 |
| Dice metric | 0.8557 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+662 more
