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DocumentationIdentifier: MM325683
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM325683 |
| SMILES |
C=CC(=O)NC=C(F)C=O
|
| InChIKey |
AARKFZHPRYQZEM-UHFFFAOYSA-N
|
| MW [Da] |
143.12
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM146463
Similarity: 0.8051
Similarity to MM146463
| Tanimoto metric | 0.8051 |
|---|---|
| Cosine metric | 0.8973 |
| Dice metric | 0.892 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM325681
Similarity: 0.6835
Similarity to MM325681
| Tanimoto metric | 0.6835 |
|---|---|
| Cosine metric | 0.812 |
| Dice metric | 0.812 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM79600
Similarity: 0.6554
Similarity to MM79600
| Tanimoto metric | 0.6554 |
|---|---|
| Cosine metric | 0.7924 |
| Dice metric | 0.7918 |
| MW: | 141.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+209 more
