MMsINC Database Search


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MMsINC code: MMs02364374

Type: Neutral
Formula: C₁₁H₇F₇O₂

SMILES:

FC(F)(C(=O)c1ccc(OC)cc1)C(F)(F)C(F)(F)F

InChI:

InChI=1/C11H7F7O2/c1-20-7-4-2-6(3-5-7)8(19)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.3622 kcal/mol

Physical Properties
Molecular Weight: 304.161 g/mol	logS: -4.22984	SlogP: 4.9705	Reactive groups: 1

Topological Properties
Globularity: 0.0313294	Sterimol/B1: 2.16386	Sterimol/B2: 2.66808	Sterimol/B3: 2.67274
Sterimol/B4: 5.46083	Sterimol/L: 14.7277

Surface and Volume Properties
Accessible surface: 428.429	Positive charged surface: 163.421	Negative charged surface: 265.008	Volume: 208.375
Hydrophobic surface: 208.882	Hydrophilic surface: 219.547

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.