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DocumentationIdentifier: MM387287
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387287 |
| SMILES |
CC=CC(=CNC=O)OC
|
| InChIKey |
RJMVFUFQNSABJW-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.8
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
|
MM386362
Similarity: 0.6818
Similarity to MM386362
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8108 |
| Dice metric | 0.8108 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386140
Similarity: 0.6767
Similarity to MM386140
| Tanimoto metric | 0.6767 |
|---|---|
| Cosine metric | 0.8072 |
| Dice metric | 0.8072 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+202 more
