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MMsINC code: MMs00670041

Type: Neutral
Formula: C₂₀H₁₄BrFN₂O₂

SMILES:

Brc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1

InChI:

InChI=1/C20H14BrFN2O2/c21-17-7-3-1-5-15(17)19(25)24-18-8-4-2-6-16(18)20(26)23-14-11-9-13(22)10-12-14/h1-12H,(H,23,26)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.582 kcal/mol

Physical Properties
Molecular Weight: 413.246 g/mol	logS: -6.71023	SlogP: 5.0928	Reactive groups: 0

Topological Properties
Globularity: 0.0339997	Sterimol/B1: 2.4374	Sterimol/B2: 2.93687	Sterimol/B3: 3.47689
Sterimol/B4: 9.80711	Sterimol/L: 15.8044

Surface and Volume Properties
Accessible surface: 607.043	Positive charged surface: 279.601	Negative charged surface: 327.442	Volume: 335.375
Hydrophobic surface: 566.761	Hydrophilic surface: 40.282

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.