MMsINC Database Search


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MMsINC code: MMs02428776

Type: Neutral
Formula: C₁₄H₁₆F₆O₂

SMILES:

FC(F)(F)C(O)(CC(O)(CCc1ccccc1)C)C(F)(F)F

InChI:

InChI=1/C14H16F6O2/c1-11(21,8-7-10-5-3-2-4-6-10)9-12(22,13(15,16)17)14(18,19)20/h2-6,21-22H,7-9H2,1H3/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.554 kcal/mol

Physical Properties
Molecular Weight: 330.268 g/mol	logS: -3.91156	SlogP: 4.45577	Reactive groups: 0

Topological Properties
Globularity: 0.099099	Sterimol/B1: 2.19089	Sterimol/B2: 2.5617	Sterimol/B3: 4.78032
Sterimol/B4: 4.98064	Sterimol/L: 15.0967

Surface and Volume Properties
Accessible surface: 484.704	Positive charged surface: 210.091	Negative charged surface: 274.613	Volume: 261
Hydrophobic surface: 272.033	Hydrophilic surface: 212.671

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.