MMsINC Database Search


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MMsINC code: MMs02773880

Type: Neutral
Formula: C₂₀H₁₆F₂N₂O₂

SMILES:

Fc1cc(F)ccc1NC(=O)Nc1ccc(OCc2ccccc2)cc1

InChI:

InChI=1/C20H16F2N2O2/c21-15-6-11-19(18(22)12-15)24-20(25)23-16-7-9-17(10-8-16)26-13-14-4-2-1-3-5-14/h1-12H,13H2,(H2,23,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.046 kcal/mol

Physical Properties
Molecular Weight: 354.356 g/mol	logS: -5.66029	SlogP: 5.4542	Reactive groups: 0

Topological Properties
Globularity: 0.0253733	Sterimol/B1: 2.94613	Sterimol/B2: 3.4793	Sterimol/B3: 3.49098
Sterimol/B4: 5.06168	Sterimol/L: 20.6408

Surface and Volume Properties
Accessible surface: 618.387	Positive charged surface: 335.964	Negative charged surface: 282.423	Volume: 320.125
Hydrophobic surface: 550.972	Hydrophilic surface: 67.415

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.