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DocumentationIdentifier: MM331326
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM331326 |
| SMILES |
C=CN(C=O)CC(F)=CC
|
| InChIKey |
RVLGWCBQVXMSFR-UHFFFAOYSA-N
|
| MW [Da] |
143.16
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
MM150160
Similarity: 0.7857
Similarity to MM150160
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM143000
Similarity: 0.7143
Similarity to MM143000
| Tanimoto metric | 0.7143 |
|---|---|
| Cosine metric | 0.8452 |
| Dice metric | 0.8333 |
| MW: | 131.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM331328
Similarity: 0.6867
Similarity to MM331328
| Tanimoto metric | 0.6867 |
|---|---|
| Cosine metric | 0.8142 |
| Dice metric | 0.8142 |
| MW: | 147.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+96 more
