Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM54643
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM54643 |
| SMILES |
CC#CC(=CCN)NC=O
|
| InChIKey |
BYWSDSNFDQUWGG-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.4
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51664
Similarity: 0.7881
Similarity to MM51664
| Tanimoto metric | 0.7881 |
|---|---|
| Cosine metric | 0.8878 |
| Dice metric | 0.8815 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54647
Similarity: 0.7797
Similarity to MM54647
| Tanimoto metric | 0.7797 |
|---|---|
| Cosine metric | 0.883 |
| Dice metric | 0.8762 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386595
Similarity: 0.6866
Similarity to MM386595
| Tanimoto metric | 0.6866 |
|---|---|
| Cosine metric | 0.815 |
| Dice metric | 0.8142 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+119 more
