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MMsINC code: MMs02153556

Type: Neutral
Formula: C₁₈H₁₂F₂N₄O₂

SMILES:

Fc1ccccc1CN1C(=O)c2[nH]cnc2N(c2ccccc2F)C1=O

InChI:

InChI=1/C18H12F2N4O2/c19-12-6-2-1-5-11(12)9-23-17(25)15-16(22-10-21-15)24(18(23)26)14-8-4-3-7-13(14)20/h1-8,10H,9H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.9129 kcal/mol

Physical Properties
Molecular Weight: 354.316 g/mol	logS: -4.97604	SlogP: 3.8684	Reactive groups: 0

Topological Properties
Globularity: 0.136642	Sterimol/B1: 2.85941	Sterimol/B2: 4.43189	Sterimol/B3: 4.59261
Sterimol/B4: 6.27667	Sterimol/L: 14.262

Surface and Volume Properties
Accessible surface: 544.135	Positive charged surface: 309.972	Negative charged surface: 234.164	Volume: 298.875
Hydrophobic surface: 441.21	Hydrophilic surface: 102.925

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.