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DocumentationIdentifier: MM274580
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM274580 |
| SMILES |
C=CC(=O)NCCOC=O
|
| InChIKey |
WBAUYOTXNNBCHM-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM292691
Similarity: 0.8556
Similarity to MM292691
| Tanimoto metric | 0.8556 |
|---|---|
| Cosine metric | 0.925 |
| Dice metric | 0.9222 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293130
Similarity: 0.7476
Similarity to MM293130
| Tanimoto metric | 0.7476 |
|---|---|
| Cosine metric | 0.8556 |
| Dice metric | 0.8556 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM281008
Similarity: 0.7064
Similarity to MM281008
| Tanimoto metric | 0.7064 |
|---|---|
| Cosine metric | 0.8284 |
| Dice metric | 0.828 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+351 more
