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DocumentationIdentifier: MM258608
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258608 |
| SMILES |
C=CC(=O)CCNC(C)=O
|
| InChIKey |
WNQQSQQASDVKMD-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM258460
Similarity: 0.6789
Similarity to MM258460
| Tanimoto metric | 0.6789 |
|---|---|
| Cosine metric | 0.8102 |
| Dice metric | 0.8087 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM258379
Similarity: 0.6667
Similarity to MM258379
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8009 |
| Dice metric | 0.8 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM318136
Similarity: 0.625
Similarity to MM318136
| Tanimoto metric | 0.625 |
|---|---|
| Cosine metric | 0.7692 |
| Dice metric | 0.7692 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+68 more
