Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM397061
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM397061 |
| SMILES |
CC(=O)C(C=O)=CNC=O
|
| InChIKey |
PNSONDQBIYLKMC-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180766
Similarity: 0.8261
Similarity to MM180766
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48423
Similarity: 0.8087
Similarity to MM48423
| Tanimoto metric | 0.8087 |
|---|---|
| Cosine metric | 0.8993 |
| Dice metric | 0.8942 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM68257
Similarity: 0.7197
Similarity to MM68257
| Tanimoto metric | 0.7197 |
|---|---|
| Cosine metric | 0.8371 |
| Dice metric | 0.837 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+74 more
