Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM105504
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM105504 |
| SMILES |
CCCOCC(C)N
|
| InChIKey |
XJAWOTBZMRYRLM-UHFFFAOYSA-N
|
| MW [Da] |
117.19
Automatically obtained from RDkit software. |
| LogP |
0.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM105505
Similarity: 0.8889
Similarity to MM105505
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9412 |
| Dice metric | 0.9412 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72981
Similarity: 0.8605
Similarity to MM72981
| Tanimoto metric | 0.8605 |
|---|---|
| Cosine metric | 0.9276 |
| Dice metric | 0.925 |
| MW: | 103.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM152510
Similarity: 0.8113
Similarity to MM152510
| Tanimoto metric | 0.8113 |
|---|---|
| Cosine metric | 0.9007 |
| Dice metric | 0.8958 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+674 more
