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DocumentationIdentifier: MM374230
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM374230 |
| SMILES |
C=CC(=C)OC=CNC=O
|
| InChIKey |
UHXIVVKIPREPFQ-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
MM153767
Similarity: 0.7841
Similarity to MM153767
| Tanimoto metric | 0.7841 |
|---|---|
| Cosine metric | 0.8855 |
| Dice metric | 0.879 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM92376
Similarity: 0.6698
Similarity to MM92376
| Tanimoto metric | 0.6698 |
|---|---|
| Cosine metric | 0.8023 |
| Dice metric | 0.8023 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM373790
Similarity: 0.6455
Similarity to MM373790
| Tanimoto metric | 0.6455 |
|---|---|
| Cosine metric | 0.7848 |
| Dice metric | 0.7845 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+187 more
