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DocumentationIdentifier: MM432825
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM432825 |
| SMILES |
CCC(C=O)N(C)CC#N
|
| InChIKey |
WYIWCWRSITZAGR-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
MM72705
Similarity: 0.681
Similarity to MM72705
| Tanimoto metric | 0.681 |
|---|---|
| Cosine metric | 0.8252 |
| Dice metric | 0.8103 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM450623
Similarity: 0.6724
Similarity to MM450623
| Tanimoto metric | 0.6724 |
|---|---|
| Cosine metric | 0.82 |
| Dice metric | 0.8041 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM363878
Similarity: 0.6641
Similarity to MM363878
| Tanimoto metric | 0.6641 |
|---|---|
| Cosine metric | 0.7998 |
| Dice metric | 0.7982 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+150 more
