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DocumentationIdentifier: MM160495
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160495 |
| SMILES |
CC(C(=N)N)C(=O)CO
|
| InChIKey |
CNPBOXZOYCEGCX-UHFFFAOYSA-N
|
| MW [Da] |
130.15
Automatically obtained from RDkit software. |
| LogP |
-0.88
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM234861
Similarity: 0.7898
Similarity to MM234861
| Tanimoto metric | 0.7898 |
|---|---|
| Cosine metric | 0.8887 |
| Dice metric | 0.8826 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM389761
Similarity: 0.6889
Similarity to MM389761
| Tanimoto metric | 0.6889 |
|---|---|
| Cosine metric | 0.83 |
| Dice metric | 0.8158 |
| MW: | 142.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM104539
Similarity: 0.629
Similarity to MM104539
| Tanimoto metric | 0.629 |
|---|---|
| Cosine metric | 0.7931 |
| Dice metric | 0.7723 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+90 more
