Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM65278
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM65278 |
| SMILES |
CCC(N=CNC)C(C)=O
|
| InChIKey |
CSWJAQQRFHDMLC-UHFFFAOYSA-N
|
| MW [Da] |
142.2
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
MM60167
Similarity: 0.8319
Similarity to MM60167
| Tanimoto metric | 0.8319 |
|---|---|
| Cosine metric | 0.9121 |
| Dice metric | 0.9082 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305446
Similarity: 0.6667
Similarity to MM305446
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8006 |
| Dice metric | 0.8 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM61828
Similarity: 0.6549
Similarity to MM61828
| Tanimoto metric | 0.6549 |
|---|---|
| Cosine metric | 0.8092 |
| Dice metric | 0.7914 |
| MW: | 114.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+90 more
