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DocumentationIdentifier: MM381992
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM381992 |
| SMILES |
C#CC=C(CF)CNC=O
|
| InChIKey |
NDKAYPAUCPPJIP-UHFFFAOYSA-N
|
| MW [Da] |
141.15
Automatically obtained from RDkit software. |
| LogP |
0.26
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM295638
Similarity: 0.7008
Similarity to MM295638
| Tanimoto metric | 0.7008 |
|---|---|
| Cosine metric | 0.8242 |
| Dice metric | 0.8241 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM284704
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| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM332079
Similarity: 0.6357
Similarity to MM332079
| Tanimoto metric | 0.6357 |
|---|---|
| Cosine metric | 0.7779 |
| Dice metric | 0.7773 |
| MW: | 145.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+307 more
