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DocumentationIdentifier: MM268899
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM268899 |
| SMILES |
CN(CC(N)=O)C(=N)CO
|
| InChIKey |
PQOXSGXEJLEJON-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-1.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133758
Similarity: 0.7214
Similarity to MM133758
| Tanimoto metric | 0.7214 |
|---|---|
| Cosine metric | 0.8494 |
| Dice metric | 0.8382 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM268898
Similarity: 0.622
Similarity to MM268898
| Tanimoto metric | 0.622 |
|---|---|
| Cosine metric | 0.768 |
| Dice metric | 0.7669 |
| MW: | 144.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269100
Similarity: 0.5698
Similarity to MM269100
| Tanimoto metric | 0.5698 |
|---|---|
| Cosine metric | 0.726 |
| Dice metric | 0.726 |
| MW: | 139.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.99 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+17 more
