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MMsINC code: MMs02008234

Type: Neutral
Formula: C₂₀H₁₄F₂N₄O

SMILES:

Fc1cc(ccc1F)C(=O)Nc1cc(ccc1C)-c1nc2n(c1)C=CC=N2

InChI:

InChI=1/C20H14F2N4O/c1-12-3-4-13(18-11-26-8-2-7-23-20(26)25-18)10-17(12)24-19(27)14-5-6-15(21)16(22)9-14/h2-11H,1H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.781 kcal/mol

Physical Properties
Molecular Weight: 364.355 g/mol	logS: -6.1787	SlogP: 4.57562	Reactive groups: 0

Topological Properties
Globularity: 0.0107173	Sterimol/B1: 2.38225	Sterimol/B2: 2.56542	Sterimol/B3: 2.7706
Sterimol/B4: 9.16951	Sterimol/L: 18.0597

Surface and Volume Properties
Accessible surface: 599.104	Positive charged surface: 312.606	Negative charged surface: 286.498	Volume: 321
Hydrophobic surface: 480.835	Hydrophilic surface: 118.269

Pharmacophoric Properties
Hydrogen bond donors: 1	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.