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DocumentationIdentifier: MM324670
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM324670 |
| SMILES |
CC(=CCN(C)C=O)CO
|
| InChIKey |
XFIJEHGHYNOZGZ-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.01
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171060
Similarity: 0.7865
Similarity to MM171060
| Tanimoto metric | 0.7865 |
|---|---|
| Cosine metric | 0.8869 |
| Dice metric | 0.8805 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM168308
Similarity: 0.7528
Similarity to MM168308
| Tanimoto metric | 0.7528 |
|---|---|
| Cosine metric | 0.8676 |
| Dice metric | 0.859 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM437017
Similarity: 0.7292
Similarity to MM437017
| Tanimoto metric | 0.7292 |
|---|---|
| Cosine metric | 0.8456 |
| Dice metric | 0.8434 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+265 more
