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DocumentationIdentifier: MM250793
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM250793 |
| SMILES |
C=C(C)OCC(F)CC=O
|
| InChIKey |
GZMRRBPDEDCBND-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
1.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144341
Similarity: 0.8
Similarity to MM144341
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM155950
Similarity: 0.7545
Similarity to MM155950
| Tanimoto metric | 0.7545 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.8601 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250673
Similarity: 0.6875
Similarity to MM250673
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.815 |
| Dice metric | 0.8148 |
| MW: | 146.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+295 more
