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DocumentationIdentifier: MM46405
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM46405 |
| SMILES |
CCN(C)C(C=O)C=O
|
| InChIKey |
XZWHLMOKRRTVGU-UHFFFAOYSA-N
|
| MW [Da] |
129.16
Automatically obtained from RDkit software. |
| LogP |
-0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM100386
Similarity: 0.8767
Similarity to MM100386
| Tanimoto metric | 0.8767 |
|---|---|
| Cosine metric | 0.9363 |
| Dice metric | 0.9343 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM99352
Similarity: 0.7711
Similarity to MM99352
| Tanimoto metric | 0.7711 |
|---|---|
| Cosine metric | 0.8781 |
| Dice metric | 0.8707 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46753
Similarity: 0.7432
Similarity to MM46753
| Tanimoto metric | 0.7432 |
|---|---|
| Cosine metric | 0.8527 |
| Dice metric | 0.8527 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+64 more
