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DocumentationIdentifier: MM39342
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM39342 |
| SMILES |
C#CCNC(CF)C(C)=O
|
| InChIKey |
PQNAVZUOVVLVAP-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM373198
Similarity: 0.7431
Similarity to MM373198
| Tanimoto metric | 0.7431 |
|---|---|
| Cosine metric | 0.8529 |
| Dice metric | 0.8526 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304824
Similarity: 0.6646
Similarity to MM304824
| Tanimoto metric | 0.6646 |
|---|---|
| Cosine metric | 0.7991 |
| Dice metric | 0.7985 |
| MW: | 151.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM33480
Similarity: 0.5528
Similarity to MM33480
| Tanimoto metric | 0.5528 |
|---|---|
| Cosine metric | 0.7124 |
| Dice metric | 0.712 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+98 more
