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DocumentationIdentifier: MM340814
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM340814 |
| SMILES |
CCC(C#N)CCC(C)=O
|
| InChIKey |
HSGAPITUQXJICS-UHFFFAOYSA-N
|
| MW [Da] |
139.2
Automatically obtained from RDkit software. |
| LogP |
1.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43722
Similarity: 0.7927
Similarity to MM43722
| Tanimoto metric | 0.7927 |
|---|---|
| Cosine metric | 0.8903 |
| Dice metric | 0.8844 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386875
Similarity: 0.7711
Similarity to MM386875
| Tanimoto metric | 0.7711 |
|---|---|
| Cosine metric | 0.8766 |
| Dice metric | 0.8707 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM198919
Similarity: 0.7317
Similarity to MM198919
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8554 |
| Dice metric | 0.8451 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+142 more
