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MMsINC code: MMs02928734

Type: Neutral
Formula: C₁₃H₁₂F₂N₄O₂

SMILES:

Fc1cccc(F)c1C(=O)Nc1cnn(CC)c1C(=O)N

InChI:

InChI=1/C13H12F2N4O2/c1-2-19-11(12(16)20)9(6-17-19)18-13(21)10-7(14)4-3-5-8(10)15/h3-6H,2H2,1H3,(H2,16,20)(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.9818 kcal/mol

Physical Properties
Molecular Weight: 294.261 g/mol	logS: -3.00713	SlogP: 1.7988	Reactive groups: 0

Topological Properties
Globularity: 0.088972	Sterimol/B1: 2.8384	Sterimol/B2: 3.11999	Sterimol/B3: 4.58458
Sterimol/B4: 5.52187	Sterimol/L: 15.5438

Surface and Volume Properties
Accessible surface: 501.741	Positive charged surface: 290.922	Negative charged surface: 210.819	Volume: 247.875
Hydrophobic surface: 341.58	Hydrophilic surface: 160.161

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.