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DocumentationIdentifier: MM350401
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350401 |
| SMILES |
O=CNCC(=O)C(O)CO
|
| InChIKey |
BWCHKTPOXYUMGJ-UHFFFAOYSA-N
|
| MW [Da] |
147.13
Automatically obtained from RDkit software. |
| LogP |
-2.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM162493
Similarity: 0.7559
Similarity to MM162493
| Tanimoto metric | 0.7559 |
|---|---|
| Cosine metric | 0.8694 |
| Dice metric | 0.861 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156235
Similarity: 0.6378
Similarity to MM156235
| Tanimoto metric | 0.6378 |
|---|---|
| Cosine metric | 0.7986 |
| Dice metric | 0.7788 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM246137
Similarity: 0.6
Similarity to MM246137
| Tanimoto metric | 0.6 |
|---|---|
| Cosine metric | 0.75 |
| Dice metric | 0.75 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+97 more
