MMsINC Database Search


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MMsINC code: MMs00055624

Type: Neutral
Formula: C₁₀H₆F₆O

SMILES:

FC(F)(F)c1cc(ccc1C(=O)C)C(F)(F)F

InChI:

InChI=1/C10H6F6O/c1-5(17)7-3-2-6(9(11,12)13)4-8(7)10(14,15)16/h2-4H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.7548 kcal/mol

Physical Properties
Molecular Weight: 256.145 g/mol	logS: -3.81025	SlogP: 4.5498	Reactive groups: 0

Topological Properties
Globularity: 0.0503864	Sterimol/B1: 2.64009	Sterimol/B2: 2.64208	Sterimol/B3: 2.77455
Sterimol/B4: 6.05927	Sterimol/L: 11.041

Surface and Volume Properties
Accessible surface: 376.951	Positive charged surface: 107.842	Negative charged surface: 269.109	Volume: 180.875
Hydrophobic surface: 162.465	Hydrophilic surface: 214.486

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.