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DocumentationIdentifier: MM220713
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM220713 |
| SMILES |
CCC(C(C)O)C(C)(C)O
|
| InChIKey |
PLWQDACNHXVVLS-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
1.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM220710
Similarity: 0.798
Similarity to MM220710
| Tanimoto metric | 0.798 |
|---|---|
| Cosine metric | 0.8879 |
| Dice metric | 0.8876 |
| MW: | 146.23 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM455994
Similarity: 0.7113
Similarity to MM455994
| Tanimoto metric | 0.7113 |
|---|---|
| Cosine metric | 0.8352 |
| Dice metric | 0.8313 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM180947
Similarity: 0.6989
Similarity to MM180947
| Tanimoto metric | 0.6989 |
|---|---|
| Cosine metric | 0.8324 |
| Dice metric | 0.8228 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+528 more
