MMsINC Database Search


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MMsINC code: MMs01456411

Type: Neutral
Formula: C₁₅H₉F₄NO₂

SMILES:

Fc1c(F)c(cc(F)c1F)C(=O)Nc1ccccc1C(=O)C

InChI:

InChI=1/C15H9F4NO2/c1-7(21)8-4-2-3-5-11(8)20-15(22)9-6-10(16)13(18)14(19)12(9)17/h2-6H,1H3,(H,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.7318 kcal/mol

Physical Properties
Molecular Weight: 311.234 g/mol	logS: -4.84706	SlogP: 3.6979	Reactive groups: 0

Topological Properties
Globularity: 0.0346171	Sterimol/B1: 2.21828	Sterimol/B2: 2.29958	Sterimol/B3: 3.15949
Sterimol/B4: 7.61553	Sterimol/L: 14.175

Surface and Volume Properties
Accessible surface: 478.703	Positive charged surface: 217.946	Negative charged surface: 260.758	Volume: 246.25
Hydrophobic surface: 421.59	Hydrophilic surface: 57.113

Pharmacophoric Properties
Hydrogen bond donors: 1	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.