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DocumentationIdentifier: MM43096
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM43096 |
| SMILES |
C#CC(C=O)(CF)N(C)C
|
| InChIKey |
RPUUXOVMFSVHFC-UHFFFAOYSA-N
|
| MW [Da] |
143.16
Automatically obtained from RDkit software. |
| LogP |
0.09
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM196755
Similarity: 0.7919
Similarity to MM196755
| Tanimoto metric | 0.7919 |
|---|---|
| Cosine metric | 0.8899 |
| Dice metric | 0.8839 |
| MW: | 129.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44419
Similarity: 0.6012
Similarity to MM44419
| Tanimoto metric | 0.6012 |
|---|---|
| Cosine metric | 0.7586 |
| Dice metric | 0.751 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM41390
Similarity: 0.5689
Similarity to MM41390
| Tanimoto metric | 0.5689 |
|---|---|
| Cosine metric | 0.7321 |
| Dice metric | 0.7252 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+20 more
