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DocumentationIdentifier: MM44336
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM44336 |
| SMILES |
CC(=O)OC=C(F)CO
|
| InChIKey |
FMYLZWJAMXZDCN-UHFFFAOYSA-N
|
| MW [Da] |
134.11
Automatically obtained from RDkit software. |
| LogP |
0.35
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM253544
Similarity: 0.8704
Similarity to MM253544
| Tanimoto metric | 0.8704 |
|---|---|
| Cosine metric | 0.9329 |
| Dice metric | 0.9307 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.01 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103657
Similarity: 0.7553
Similarity to MM103657
| Tanimoto metric | 0.7553 |
|---|---|
| Cosine metric | 0.8691 |
| Dice metric | 0.8606 |
| MW: | 118.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37355
Similarity: 0.7128
Similarity to MM37355
| Tanimoto metric | 0.7128 |
|---|---|
| Cosine metric | 0.8443 |
| Dice metric | 0.8323 |
| MW: | 120.08 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+286 more
