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DocumentationIdentifier: MM33775
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM33775 |
| SMILES |
CN(C)CCC(=O)CC#N
|
| InChIKey |
NBXUQOLTPXDHMO-UHFFFAOYSA-N
|
| MW [Da] |
140.19
Automatically obtained from RDkit software. |
| LogP |
0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM33999
Similarity: 0.7558
Similarity to MM33999
| Tanimoto metric | 0.7558 |
|---|---|
| Cosine metric | 0.8694 |
| Dice metric | 0.8609 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM76920
Similarity: 0.7526
Similarity to MM76920
| Tanimoto metric | 0.7526 |
|---|---|
| Cosine metric | 0.8589 |
| Dice metric | 0.8588 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292262
Similarity: 0.73
Similarity to MM292262
| Tanimoto metric | 0.73 |
|---|---|
| Cosine metric | 0.8439 |
| Dice metric | 0.8439 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+200 more
