Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM87845
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87845 |
| SMILES |
N#CCC(C=O)OCC=O
|
| InChIKey |
HCRWYJNODRJJOZ-UHFFFAOYSA-N
|
| MW [Da] |
141.13
Automatically obtained from RDkit software. |
| LogP |
-0.32
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM51290
Similarity: 0.8854
Similarity to MM51290
| Tanimoto metric | 0.8854 |
|---|---|
| Cosine metric | 0.941 |
| Dice metric | 0.9392 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87782
Similarity: 0.7818
Similarity to MM87782
| Tanimoto metric | 0.7818 |
|---|---|
| Cosine metric | 0.8777 |
| Dice metric | 0.8776 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87849
Similarity: 0.7798
Similarity to MM87849
| Tanimoto metric | 0.7798 |
|---|---|
| Cosine metric | 0.8763 |
| Dice metric | 0.8763 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+102 more
