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DocumentationIdentifier: MM304498
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM304498 |
| SMILES |
C#CC=C(CC=O)NC=N
|
| InChIKey |
DDJBYPXWWMYDRA-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179065
Similarity: 0.7823
Similarity to MM179065
| Tanimoto metric | 0.7823 |
|---|---|
| Cosine metric | 0.8845 |
| Dice metric | 0.8778 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304405
Similarity: 0.7029
Similarity to MM304405
| Tanimoto metric | 0.7029 |
|---|---|
| Cosine metric | 0.8268 |
| Dice metric | 0.8255 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM304542
Similarity: 0.6783
Similarity to MM304542
| Tanimoto metric | 0.6783 |
|---|---|
| Cosine metric | 0.8088 |
| Dice metric | 0.8083 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+53 more
