Log in
Browse 
Membranes
Search
Statistics
Lab
DocumentationIdentifier: MM161973
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM161973 |
| SMILES |
CCNCC(O)C(C)O
|
| InChIKey |
VXUSHWLPKXMUGZ-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
-0.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM300989
Similarity: 0.9647
Similarity to MM300989
| Tanimoto metric | 0.9647 |
|---|---|
| Cosine metric | 0.9822 |
| Dice metric | 0.982 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300993
Similarity: 0.9111
Similarity to MM300993
| Tanimoto metric | 0.9111 |
|---|---|
| Cosine metric | 0.9545 |
| Dice metric | 0.9535 |
| MW: | 149.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM361911
Similarity: 0.8817
Similarity to MM361911
| Tanimoto metric | 0.8817 |
|---|---|
| Cosine metric | 0.939 |
| Dice metric | 0.9371 |
| MW: | 148.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+462 more
