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DocumentationIdentifier: MM346686
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM346686 |
| SMILES |
CCC(C=O)=CNC(C)C
|
| InChIKey |
CDYULMYGIKVDCJ-UHFFFAOYSA-N
|
| MW [Da] |
141.21
Automatically obtained from RDkit software. |
| LogP |
1.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM437922
Similarity: 0.7736
Similarity to MM437922
| Tanimoto metric | 0.7736 |
|---|---|
| Cosine metric | 0.8724 |
| Dice metric | 0.8723 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM256107
Similarity: 0.7699
Similarity to MM256107
| Tanimoto metric | 0.7699 |
|---|---|
| Cosine metric | 0.8711 |
| Dice metric | 0.87 |
| MW: | 141.21 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM438632
Similarity: 0.7257
Similarity to MM438632
| Tanimoto metric | 0.7257 |
|---|---|
| Cosine metric | 0.8413 |
| Dice metric | 0.841 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+366 more
