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DocumentationIdentifier: MM146463
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM146463 |
| SMILES |
C=CC(=O)NC=C(C)F
|
| InChIKey |
RCUZWJIWGGJEMU-UHFFFAOYSA-N
|
| MW [Da] |
129.13
Automatically obtained from RDkit software. |
| LogP |
1.12
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM325681
Similarity: 0.819
Similarity to MM325681
| Tanimoto metric | 0.819 |
|---|---|
| Cosine metric | 0.905 |
| Dice metric | 0.9005 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM325683
Similarity: 0.8051
Similarity to MM325683
| Tanimoto metric | 0.8051 |
|---|---|
| Cosine metric | 0.8973 |
| Dice metric | 0.892 |
| MW: | 143.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103651
Similarity: 0.7684
Similarity to MM103651
| Tanimoto metric | 0.7684 |
|---|---|
| Cosine metric | 0.8766 |
| Dice metric | 0.869 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+277 more
