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MMsINC code: MMs00600642

Type: Neutral
Formula: C₁₃H₁₀F₂N₂O₂

SMILES:

Fc1cc(NCc2ccc([N+](=O)[O-])cc2)ccc1F

InChI:

InChI=1/C13H10F2N2O2/c14-12-6-3-10(7-13(12)15)16-8-9-1-4-11(5-2-9)17(18)19/h1-7,16H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.1428 kcal/mol

Physical Properties
Molecular Weight: 264.231 g/mol	logS: -4.32943	SlogP: 3.7515	Reactive groups: 0

Topological Properties
Globularity: 0.0730764	Sterimol/B1: 2.42011	Sterimol/B2: 3.36333	Sterimol/B3: 4.25223
Sterimol/B4: 4.81559	Sterimol/L: 15.8001

Surface and Volume Properties
Accessible surface: 467.476	Positive charged surface: 203.939	Negative charged surface: 263.537	Volume: 224.625
Hydrophobic surface: 365.931	Hydrophilic surface: 101.545

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.