Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM437250
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM437250 |
| SMILES |
C=CC(=O)C1CN1CC#N
|
| InChIKey |
JQSYTDXLTFDASW-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
-0.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM211342
Similarity: 0.8257
Similarity to MM211342
| Tanimoto metric | 0.8257 |
|---|---|
| Cosine metric | 0.9087 |
| Dice metric | 0.9045 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM438540
Similarity: 0.7431
Similarity to MM438540
| Tanimoto metric | 0.7431 |
|---|---|
| Cosine metric | 0.862 |
| Dice metric | 0.8526 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM437244
Similarity: 0.7317
Similarity to MM437244
| Tanimoto metric | 0.7317 |
|---|---|
| Cosine metric | 0.8453 |
| Dice metric | 0.8451 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+46 more
