Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM87782
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87782 |
| SMILES |
N#CCC(C=O)OCCO
|
| InChIKey |
DNKGWLULOOGXIX-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.52
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: 0.85
Similarity to MM51290
| Tanimoto metric | 0.85 |
|---|---|
| Cosine metric | 0.922 |
| Dice metric | 0.9189 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87845
Similarity: 0.7818
Similarity to MM87845
| Tanimoto metric | 0.7818 |
|---|---|
| Cosine metric | 0.8777 |
| Dice metric | 0.8776 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87849
Similarity: 0.7522
Similarity to MM87849
| Tanimoto metric | 0.7522 |
|---|---|
| Cosine metric | 0.8586 |
| Dice metric | 0.8586 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+237 more
