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DocumentationIdentifier: MM28425
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28425 |
| SMILES |
CC(C#N)C(=O)CN(C)C
|
| InChIKey |
LSHBFHWFWIXQQT-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM351123
Similarity: 0.7364
Similarity to MM351123
| Tanimoto metric | 0.7364 |
|---|---|
| Cosine metric | 0.8482 |
| Dice metric | 0.8482 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM28465
Similarity: 0.7117
Similarity to MM28465
| Tanimoto metric | 0.7117 |
|---|---|
| Cosine metric | 0.8436 |
| Dice metric | 0.8316 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM36664
Similarity: 0.5405
Similarity to MM36664
| Tanimoto metric | 0.5405 |
|---|---|
| Cosine metric | 0.7352 |
| Dice metric | 0.7018 |
| MW: | 115.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+158 more
