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MMsINC code: MMs00563291

Type: Neutral
Formula: C₁₉H₁₄F₂N₂O₄

SMILES:

Fc1cc2c(ncc(C(OCC)=O)c2Nc2ccc(cc2)C(O)=O)cc1F

InChI:

InChI=1/C19H14F2N2O4/c1-2-27-19(26)13-9-22-16-8-15(21)14(20)7-12(16)17(13)23-11-5-3-10(4-6-11)18(24)25/h3-9H,2H2,1H3,(H,22,23)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.1647 kcal/mol

Physical Properties
Molecular Weight: 372.327 g/mol	logS: -4.86204	SlogP: 4.1315	Reactive groups: 0

Topological Properties
Globularity: 0.161088	Sterimol/B1: 3.62035	Sterimol/B2: 4.44695	Sterimol/B3: 4.60094
Sterimol/B4: 9.18503	Sterimol/L: 13.7044

Surface and Volume Properties
Accessible surface: 590.678	Positive charged surface: 344.123	Negative charged surface: 244.055	Volume: 318.25
Hydrophobic surface: 414.824	Hydrophilic surface: 175.854

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs00563292
CHEMBLOCK-ZINC04622732