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DocumentationIdentifier: MM133809
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM133809 |
| SMILES |
C=C(CC(C)N)C(C)O
|
| InChIKey |
GEVPUZGMKINCCS-UHFFFAOYSA-N
|
| MW [Da] |
129.2
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 |
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MM269135
Similarity: 0.8306
Similarity to MM269135
| Tanimoto metric | 0.8306 |
|---|---|
| Cosine metric | 0.9114 |
| Dice metric | 0.9075 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM245972
Similarity: 0.811
Similarity to MM245972
| Tanimoto metric | 0.811 |
|---|---|
| Cosine metric | 0.9006 |
| Dice metric | 0.8957 |
| MW: | 143.23 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM245973
Similarity: 0.7923
Similarity to MM245973
| Tanimoto metric | 0.7923 |
|---|---|
| Cosine metric | 0.8901 |
| Dice metric | 0.8841 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+628 more
