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DocumentationIdentifier: MM88908
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM88908 |
| SMILES |
CCC=CC(CO)NC=O
|
| InChIKey |
OYYLCXOVDVGGGE-UHFFFAOYSA-N
|
| MW [Da] |
143.19
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM377782
Similarity: 0.6899
Similarity to MM377782
| Tanimoto metric | 0.6899 |
|---|---|
| Cosine metric | 0.8171 |
| Dice metric | 0.8165 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66997
Similarity: 0.6594
Similarity to MM66997
| Tanimoto metric | 0.6594 |
|---|---|
| Cosine metric | 0.7975 |
| Dice metric | 0.7948 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94994
Similarity: 0.6403
Similarity to MM94994
| Tanimoto metric | 0.6403 |
|---|---|
| Cosine metric | 0.7831 |
| Dice metric | 0.7807 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+185 more
