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DocumentationIdentifier: MM202041
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM202041 |
| SMILES |
COC(C=O)=CC=CF
|
| InChIKey |
FPYDSENAKLGCDZ-UHFFFAOYSA-N
|
| MW [Da] |
130.12
Automatically obtained from RDkit software. |
| LogP |
1.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM116849
Similarity: 0.7667
Similarity to MM116849
| Tanimoto metric | 0.7667 |
|---|---|
| Cosine metric | 0.8756 |
| Dice metric | 0.8679 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114874
Similarity: 0.6778
Similarity to MM114874
| Tanimoto metric | 0.6778 |
|---|---|
| Cosine metric | 0.8233 |
| Dice metric | 0.8079 |
| MW: | 116.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM339531
Similarity: 0.6294
Similarity to MM339531
| Tanimoto metric | 0.6294 |
|---|---|
| Cosine metric | 0.7933 |
| Dice metric | 0.7725 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+307 more
