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DocumentationIdentifier: MM26385
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM26385 |
| SMILES |
CCNC(=O)CO
|
| InChIKey |
HWVOWKVXWMUGMS-UHFFFAOYSA-N
|
| MW [Da] |
103.12
Automatically obtained from RDkit software. |
| LogP |
-0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM113061
Similarity: 0.8519
Similarity to MM113061
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.923 |
| Dice metric | 0.92 |
| MW: | 119.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM24668
Similarity: 0.7826
Similarity to MM24668
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 89.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113060
Similarity: 0.7797
Similarity to MM113060
| Tanimoto metric | 0.7797 |
|---|---|
| Cosine metric | 0.883 |
| Dice metric | 0.8762 |
| MW: | 118.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+541 more
