MMsINC Database Search


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MMsINC code: MMs02181764

Type: Neutral
Formula: C₁₀H₉F₃O₂

SMILES:

FC(F)(F)C(OCc1ccccc1C)=O

InChI:

InChI=1/C10H9F3O2/c1-7-4-2-3-5-8(7)6-15-9(14)10(11,12)13/h2-5H,6H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.6192 kcal/mol

Physical Properties
Molecular Weight: 218.174 g/mol	logS: -3.32352	SlogP: 3.28682	Reactive groups: 0

Topological Properties
Globularity: 0.0318612	Sterimol/B1: 1.969	Sterimol/B2: 2.6337	Sterimol/B3: 2.64273
Sterimol/B4: 6.83158	Sterimol/L: 12.3353

Surface and Volume Properties
Accessible surface: 400.384	Positive charged surface: 163.428	Negative charged surface: 236.956	Volume: 180.375
Hydrophobic surface: 246.736	Hydrophilic surface: 153.648

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.