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DocumentationIdentifier: MM350836
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350836 |
| SMILES |
O=CC(O)C(=O)NCCO
|
| InChIKey |
IJQSXUDFDGNBMC-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
MM173258
Similarity: 0.8783
Similarity to MM173258
| Tanimoto metric | 0.8783 |
|---|---|
| Cosine metric | 0.9372 |
| Dice metric | 0.9352 |
| MW: | 131.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162415
Similarity: 0.7913
Similarity to MM162415
| Tanimoto metric | 0.7913 |
|---|---|
| Cosine metric | 0.8896 |
| Dice metric | 0.8835 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351164
Similarity: 0.771
Similarity to MM351164
| Tanimoto metric | 0.771 |
|---|---|
| Cosine metric | 0.8707 |
| Dice metric | 0.8707 |
| MW: | 145.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+307 more
