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DocumentationIdentifier: MM74156
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM74156 |
| SMILES |
CC(=O)C(C)=CNCC=O
|
| InChIKey |
DYIZOXULLUWEBM-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
MM48413
Similarity: 0.8932
Similarity to MM48413
| Tanimoto metric | 0.8932 |
|---|---|
| Cosine metric | 0.9451 |
| Dice metric | 0.9436 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM295058
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Similarity to MM295058
| Tanimoto metric | 0.8378 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.9118 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM256107
Similarity: 0.7931
Similarity to MM256107
| Tanimoto metric | 0.7931 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.8846 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+339 more
