MMsINC Database Search


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MMsINC code: MMs02166072

Type: Neutral
Formula: C₁₁H₁₀F₆O

SMILES:

FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(O)(C)C

InChI:

InChI=1/C11H10F6O/c1-9(2,18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h3-5,18H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.5739 kcal/mol

Physical Properties
Molecular Weight: 272.188 g/mol	logS: -3.92342	SlogP: 4.8861	Reactive groups: 0

Topological Properties
Globularity: 0.140339	Sterimol/B1: 2.49049	Sterimol/B2: 4.09257	Sterimol/B3: 4.15702
Sterimol/B4: 5.62384	Sterimol/L: 10.552

Surface and Volume Properties
Accessible surface: 423.875	Positive charged surface: 135.646	Negative charged surface: 288.228	Volume: 203.5
Hydrophobic surface: 145.176	Hydrophilic surface: 278.699

Pharmacophoric Properties
Hydrogen bond donors: 1	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.