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DocumentationIdentifier: MM312596
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312596 |
| SMILES |
CCC(C=O)(CC#N)NC
|
| InChIKey |
MXEFUKUACBLPTF-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
MM46482
Similarity: 0.7795
Similarity to MM46482
| Tanimoto metric | 0.7795 |
|---|---|
| Cosine metric | 0.8829 |
| Dice metric | 0.8761 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM387048
Similarity: 0.7785
Similarity to MM387048
| Tanimoto metric | 0.7785 |
|---|---|
| Cosine metric | 0.8795 |
| Dice metric | 0.8754 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM312856
Similarity: 0.6875
Similarity to MM312856
| Tanimoto metric | 0.6875 |
|---|---|
| Cosine metric | 0.8157 |
| Dice metric | 0.8148 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+69 more
