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DocumentationIdentifier: MM116977
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116977 |
| SMILES |
C=CC(C#N)N(C)C
|
| InChIKey |
IDVOZACOBPEZAI-UHFFFAOYSA-N
|
| MW [Da] |
110.16
Automatically obtained from RDkit software. |
| LogP |
0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43700
Similarity: 0.75
Similarity to MM43700
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 96.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM27478
Similarity: 0.6337
Similarity to MM27478
| Tanimoto metric | 0.6337 |
|---|---|
| Cosine metric | 0.796 |
| Dice metric | 0.7758 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116166
Similarity: 0.6234
Similarity to MM116166
| Tanimoto metric | 0.6234 |
|---|---|
| Cosine metric | 0.7682 |
| Dice metric | 0.768 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+163 more
