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DocumentationIdentifier: MM225435
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225435 |
| SMILES |
CC(C)C(O)C(C)(N)CO
|
| InChIKey |
SPVAAHLWZXLMHH-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM66047
Similarity: 0.8387
Similarity to MM66047
| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9158 |
| Dice metric | 0.9123 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM223620
Similarity: 0.8
Similarity to MM223620
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8891 |
| Dice metric | 0.8889 |
| MW: | 147.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM241786
Similarity: 0.777
Similarity to MM241786
| Tanimoto metric | 0.777 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8745 |
| MW: | 149.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+285 more
