MMsINC Database Search


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MMsINC code: MMs02785115

Type: Neutral
Formula: C₂₀H₁₃BrFNO₂

SMILES:

Brc1cc(C(=O)c2ccccc2)c(NC(=O)c2ccc(F)cc2)cc1

InChI:

InChI=1/C20H13BrFNO2/c21-15-8-11-18(23-20(25)14-6-9-16(22)10-7-14)17(12-15)19(24)13-4-2-1-3-5-13/h1-12H,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.035 kcal/mol

Physical Properties
Molecular Weight: 398.231 g/mol	logS: -6.81305	SlogP: 5.0715	Reactive groups: 0

Topological Properties
Globularity: 0.162089	Sterimol/B1: 2.73205	Sterimol/B2: 3.04106	Sterimol/B3: 5.54206
Sterimol/B4: 9.48062	Sterimol/L: 15.5803

Surface and Volume Properties
Accessible surface: 584.472	Positive charged surface: 239.115	Negative charged surface: 345.357	Volume: 327.75
Hydrophobic surface: 528.113	Hydrophilic surface: 56.359

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.