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DocumentationIdentifier: MM49343
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM49343 |
| SMILES |
CN(C)C(C=O)C=O
|
| InChIKey |
YSZOVFDUXMLYDT-UHFFFAOYSA-N
|
| MW [Da] |
115.13
Automatically obtained from RDkit software. |
| LogP |
-0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM33266
Similarity: 0.7447
Similarity to MM33266
| Tanimoto metric | 0.7447 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8537 |
| MW: | 101.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46405
Similarity: 0.7344
Similarity to MM46405
| Tanimoto metric | 0.7344 |
|---|---|
| Cosine metric | 0.857 |
| Dice metric | 0.8468 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM44656
Similarity: 0.6812
Similarity to MM44656
| Tanimoto metric | 0.6812 |
|---|---|
| Cosine metric | 0.8253 |
| Dice metric | 0.8103 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+81 more
