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DocumentationIdentifier: MM226806
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM226806 |
| SMILES |
C=C(CO)OC(C)(C)CN
|
| InChIKey |
COWDOVRDIZXWJO-UHFFFAOYSA-N
|
| MW [Da] |
145.2
Automatically obtained from RDkit software. |
| LogP |
0.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM130796
Similarity: 0.787
Similarity to MM130796
| Tanimoto metric | 0.787 |
|---|---|
| Cosine metric | 0.8872 |
| Dice metric | 0.8808 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM229304
Similarity: 0.6855
Similarity to MM229304
| Tanimoto metric | 0.6855 |
|---|---|
| Cosine metric | 0.8139 |
| Dice metric | 0.8134 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226805
Similarity: 0.68
Similarity to MM226805
| Tanimoto metric | 0.68 |
|---|---|
| Cosine metric | 0.8099 |
| Dice metric | 0.8095 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.21 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+460 more
