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DocumentationIdentifier: MM253486
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253486 |
| SMILES |
CC(=CCC(C)F)OC=O
|
| InChIKey |
FXJOXBYHVWEOMK-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
1.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM159571
Similarity: 0.7615
Similarity to MM159571
| Tanimoto metric | 0.7615 |
|---|---|
| Cosine metric | 0.8726 |
| Dice metric | 0.8646 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284769
Similarity: 0.686
Similarity to MM284769
| Tanimoto metric | 0.686 |
|---|---|
| Cosine metric | 0.8156 |
| Dice metric | 0.8137 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284768
Similarity: 0.6423
Similarity to MM284768
| Tanimoto metric | 0.6423 |
|---|---|
| Cosine metric | 0.7846 |
| Dice metric | 0.7822 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+199 more
