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DocumentationIdentifier: MM62477
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM62477 |
| SMILES |
CC(=O)C(C)NC(C)C#N
|
| InChIKey |
RFILXNVGKRHYHZ-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.47
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM61597
Similarity: 0.7607
Similarity to MM61597
| Tanimoto metric | 0.7607 |
|---|---|
| Cosine metric | 0.8655 |
| Dice metric | 0.8641 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133649
Similarity: 0.7156
Similarity to MM133649
| Tanimoto metric | 0.7156 |
|---|---|
| Cosine metric | 0.8459 |
| Dice metric | 0.8342 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59627
Similarity: 0.6855
Similarity to MM59627
| Tanimoto metric | 0.6855 |
|---|---|
| Cosine metric | 0.8142 |
| Dice metric | 0.8134 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+136 more
