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DocumentationIdentifier: MM244711
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244711 |
| SMILES |
CC(CO)NC(C)C(C)O
|
| InChIKey |
CYRKBEPWAJJBEP-UHFFFAOYSA-N
|
| MW [Da] |
147.22
Automatically obtained from RDkit software. |
| LogP |
-0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM161992
Similarity: 0.8966
Similarity to MM161992
| Tanimoto metric | 0.8966 |
|---|---|
| Cosine metric | 0.9469 |
| Dice metric | 0.9455 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85395
Similarity: 0.8851
Similarity to MM85395
| Tanimoto metric | 0.8851 |
|---|---|
| Cosine metric | 0.9408 |
| Dice metric | 0.939 |
| MW: | 131.22 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM244710
Similarity: 0.871
Similarity to MM244710
| Tanimoto metric | 0.871 |
|---|---|
| Cosine metric | 0.931 |
| Dice metric | 0.931 |
| MW: | 145.25 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+547 more
