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DocumentationIdentifier: MM71830
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM71830 |
| SMILES |
C=CCC(O)C(=O)NC=C
|
| InChIKey |
WLYJGEKNLCPZGE-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM173122
Similarity: 0.8071
Similarity to MM173122
| Tanimoto metric | 0.8071 |
|---|---|
| Cosine metric | 0.8984 |
| Dice metric | 0.8933 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM352986
Similarity: 0.7063
Similarity to MM352986
| Tanimoto metric | 0.7063 |
|---|---|
| Cosine metric | 0.8281 |
| Dice metric | 0.8278 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM353355
Similarity: 0.6848
Similarity to MM353355
| Tanimoto metric | 0.6848 |
|---|---|
| Cosine metric | 0.813 |
| Dice metric | 0.8129 |
| MW: | 147.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+193 more
