Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM47714
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47714 |
| SMILES |
CCOCC(C=O)N=CN
|
| InChIKey |
ALPRLVOIMVAGAF-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM47716
Similarity: 0.8364
Similarity to MM47716
| Tanimoto metric | 0.8364 |
|---|---|
| Cosine metric | 0.9145 |
| Dice metric | 0.9109 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM243173
Similarity: 0.6327
Similarity to MM243173
| Tanimoto metric | 0.6327 |
|---|---|
| Cosine metric | 0.7777 |
| Dice metric | 0.775 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM116076
Similarity: 0.6182
Similarity to MM116076
| Tanimoto metric | 0.6182 |
|---|---|
| Cosine metric | 0.7862 |
| Dice metric | 0.764 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+51 more
