MMsINC Database Search


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MMsINC code: MMs00043426

Type: Neutral
Formula: C₁₅H₁₀F₆O

SMILES:

FC(F)(F)c1cc(ccc1)C(O)c1ccc(cc1)C(F)(F)F

InChI:

InChI=1/C15H10F6O/c16-14(17,18)11-6-4-9(5-7-11)13(22)10-2-1-3-12(8-10)15(19,20)21/h1-8,13,22H/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.6093 kcal/mol

Physical Properties
Molecular Weight: 320.232 g/mol	logS: -5.0369	SlogP: 5.5244	Reactive groups: 0

Topological Properties
Globularity: 0.143386	Sterimol/B1: 2.38258	Sterimol/B2: 2.69792	Sterimol/B3: 5.08044
Sterimol/B4: 5.9845	Sterimol/L: 13.7948

Surface and Volume Properties
Accessible surface: 479.951	Positive charged surface: 144.192	Negative charged surface: 335.759	Volume: 247.25
Hydrophobic surface: 235.51	Hydrophilic surface: 244.441

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.