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DocumentationIdentifier: MM386362
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM386362 |
| SMILES |
C=COC(C=C)=CNC=O
|
| InChIKey |
YEMXRAPLXWFXLR-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.92
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM201765
Similarity: 0.8108
Similarity to MM201765
| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.9005 |
| Dice metric | 0.8955 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47199
Similarity: 0.7207
Similarity to MM47199
| Tanimoto metric | 0.7207 |
|---|---|
| Cosine metric | 0.849 |
| Dice metric | 0.8377 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386140
Similarity: 0.7023
Similarity to MM386140
| Tanimoto metric | 0.7023 |
|---|---|
| Cosine metric | 0.8251 |
| Dice metric | 0.8251 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+195 more
