Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM90542
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90542 |
| SMILES |
N#CC(O)C(=O)C#CC=O
|
| InChIKey |
RGJRTFJPRWVTAO-UHFFFAOYSA-N
|
| MW [Da] |
137.09
Automatically obtained from RDkit software. |
| LogP |
-1.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50901
Similarity: 0.8699
Similarity to MM50901
| Tanimoto metric | 0.8699 |
|---|---|
| Cosine metric | 0.9327 |
| Dice metric | 0.9304 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM358974
Similarity: 0.7883
Similarity to MM358974
| Tanimoto metric | 0.7883 |
|---|---|
| Cosine metric | 0.8816 |
| Dice metric | 0.8816 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90544
Similarity: 0.7589
Similarity to MM90544
| Tanimoto metric | 0.7589 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8629 |
| MW: | 134.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+85 more
