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DocumentationIdentifier: MM258104
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM258104 |
| SMILES |
CC(F)COCC(=O)CO
|
| InChIKey |
UNGSVGFINCSCDP-UHFFFAOYSA-N
|
| MW [Da] |
150.15
Automatically obtained from RDkit software. |
| LogP |
-0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM291761
Similarity: 0.7283
Similarity to MM291761
| Tanimoto metric | 0.7283 |
|---|---|
| Cosine metric | 0.8456 |
| Dice metric | 0.8428 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM364628
Similarity: 0.6989
Similarity to MM364628
| Tanimoto metric | 0.6989 |
|---|---|
| Cosine metric | 0.826 |
| Dice metric | 0.8228 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM257778
Similarity: 0.6827
Similarity to MM257778
| Tanimoto metric | 0.6827 |
|---|---|
| Cosine metric | 0.8115 |
| Dice metric | 0.8114 |
| MW: | 148.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+306 more
