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DocumentationIdentifier: MM69491
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM69491 |
| SMILES |
COCC(=O)NCCC#N
|
| InChIKey |
UCQDAMXPPNIZBJ-UHFFFAOYSA-N
|
| MW [Da] |
142.16
Automatically obtained from RDkit software. |
| LogP |
-0.34
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM45850
Similarity: 0.8182
Similarity to MM45850
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166710
Similarity: 0.798
Similarity to MM166710
| Tanimoto metric | 0.798 |
|---|---|
| Cosine metric | 0.8933 |
| Dice metric | 0.8876 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355911
Similarity: 0.7043
Similarity to MM355911
| Tanimoto metric | 0.7043 |
|---|---|
| Cosine metric | 0.8266 |
| Dice metric | 0.8265 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+340 more
