Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM80661
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80661 |
| SMILES |
CCC(=O)CC(C=O)=CN
|
| InChIKey |
HHHQDFCENDTSOQ-UHFFFAOYSA-N
|
| MW [Da] |
141.17
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
MM334425
Similarity: 0.708
Similarity to MM334425
| Tanimoto metric | 0.708 |
|---|---|
| Cosine metric | 0.8291 |
| Dice metric | 0.8291 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142686
Similarity: 0.681
Similarity to MM142686
| Tanimoto metric | 0.681 |
|---|---|
| Cosine metric | 0.8252 |
| Dice metric | 0.8103 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263671
Similarity: 0.6429
Similarity to MM263671
| Tanimoto metric | 0.6429 |
|---|---|
| Cosine metric | 0.7884 |
| Dice metric | 0.7826 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+45 more
