MMsINC Database Search


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MMsINC code: MMs02264657

Type: Neutral
Formula: C₁₁H₆F₆O

SMILES:

FC(F)(F)C(=CC(=O)c1ccccc1)C(F)(F)F

InChI:

InChI=1/C11H6F6O/c12-10(13,14)9(11(15,16)17)6-8(18)7-4-2-1-3-5-7/h1-6H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.2123 kcal/mol

Physical Properties
Molecular Weight: 268.156 g/mol	logS: -4.37118	SlogP: 4.7601	Reactive groups: 1

Topological Properties
Globularity: 0.0262847	Sterimol/B1: 2.561	Sterimol/B2: 2.65433	Sterimol/B3: 3.51679
Sterimol/B4: 4.19011	Sterimol/L: 12.6588

Surface and Volume Properties
Accessible surface: 407.491	Positive charged surface: 119.573	Negative charged surface: 287.918	Volume: 191.875
Hydrophobic surface: 203.341	Hydrophilic surface: 204.15

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.