Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM15742
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15742 |
| SMILES |
N#CC#CC(C=O)OC=O
|
| InChIKey |
XEEDSKFHYNKBMZ-UHFFFAOYSA-N
|
| MW [Da] |
137.09
Automatically obtained from RDkit software. |
| LogP |
-0.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158427
Similarity: 0.7207
Similarity to MM158427
| Tanimoto metric | 0.7207 |
|---|---|
| Cosine metric | 0.849 |
| Dice metric | 0.8377 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380054
Similarity: 0.7008
Similarity to MM380054
| Tanimoto metric | 0.7008 |
|---|---|
| Cosine metric | 0.8244 |
| Dice metric | 0.8241 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380229
Similarity: 0.625
Similarity to MM380229
| Tanimoto metric | 0.625 |
|---|---|
| Cosine metric | 0.771 |
| Dice metric | 0.7692 |
| MW: | 133.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+24 more
