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DocumentationIdentifier: MM273994
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM273994 |
| SMILES |
CC(F)=CC(CN)OC=O
|
| InChIKey |
KSYROCWHWSRVTD-UHFFFAOYSA-N
|
| MW [Da] |
147.15
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178190
Similarity: 0.6569
Similarity to MM178190
| Tanimoto metric | 0.6569 |
|---|---|
| Cosine metric | 0.8105 |
| Dice metric | 0.793 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM273996
Similarity: 0.6154
Similarity to MM273996
| Tanimoto metric | 0.6154 |
|---|---|
| Cosine metric | 0.7648 |
| Dice metric | 0.7619 |
| MW: | 151.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM63639
Similarity: 0.5974
Similarity to MM63639
| Tanimoto metric | 0.5974 |
|---|---|
| Cosine metric | 0.7529 |
| Dice metric | 0.748 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+72 more
