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DocumentationIdentifier: MM273810
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM273810 |
| SMILES |
CNC=C(C#N)NC(C)=O
|
| InChIKey |
KDNSEOBKYKTSTL-UHFFFAOYSA-N
|
| MW [Da] |
139.16
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
MM150538
Similarity: 0.8125
Similarity to MM150538
| Tanimoto metric | 0.8125 |
|---|---|
| Cosine metric | 0.9014 |
| Dice metric | 0.8966 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51957
Similarity: 0.7109
Similarity to MM51957
| Tanimoto metric | 0.7109 |
|---|---|
| Cosine metric | 0.8432 |
| Dice metric | 0.8311 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM276299
Similarity: 0.6624
Similarity to MM276299
| Tanimoto metric | 0.6624 |
|---|---|
| Cosine metric | 0.7971 |
| Dice metric | 0.7969 |
| MW: | 140.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+101 more
