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DocumentationIdentifier: MM350748
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350748 |
| SMILES |
C#CC(=O)C(O)C(N)=NC
|
| InChIKey |
DHEMZSNSMXJZLF-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-1.46
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM71910
Similarity: 0.7609
Similarity to MM71910
| Tanimoto metric | 0.7609 |
|---|---|
| Cosine metric | 0.8723 |
| Dice metric | 0.8642 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160541
Similarity: 0.7446
Similarity to MM160541
| Tanimoto metric | 0.7446 |
|---|---|
| Cosine metric | 0.8629 |
| Dice metric | 0.8536 |
| MW: | 130.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM300087
Similarity: 0.6558
Similarity to MM300087
| Tanimoto metric | 0.6558 |
|---|---|
| Cosine metric | 0.7926 |
| Dice metric | 0.7921 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+26 more
