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DocumentationIdentifier: MM231588
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM231588 |
| SMILES |
CC(C)(F)C(O)C=CC=O
|
| InChIKey |
KBBXPPXNJSXLCZ-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM48202
Similarity: 0.7615
Similarity to MM48202
| Tanimoto metric | 0.7615 |
|---|---|
| Cosine metric | 0.8727 |
| Dice metric | 0.8646 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM231609
Similarity: 0.671
Similarity to MM231609
| Tanimoto metric | 0.671 |
|---|---|
| Cosine metric | 0.8031 |
| Dice metric | 0.8031 |
| MW: | 142.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM102579
Similarity: 0.6077
Similarity to MM102579
| Tanimoto metric | 0.6077 |
|---|---|
| Cosine metric | 0.7795 |
| Dice metric | 0.756 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+211 more
