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MMsINC code: MMs00159654

Type: Tautomer
Formula: C₁₉H₁₆FNO₅

SMILES:

Fc1ccccc1C\1NC(=O)C(=O)/C/1=C(\O)/c1cc(OC)c(OC)cc1

InChI:

InChI=1/C19H16FNO5/c1-25-13-8-7-10(9-14(13)26-2)17(22)15-16(21-19(24)18(15)23)11-5-3-4-6-12(11)20/h3-9,16,22H,1-2H3,(H,21,24)/b17-15+/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114.888 kcal/mol

Physical Properties
Molecular Weight: 357.337 g/mol	logS: -4.36433	SlogP: 2.6477	Reactive groups: 1

Topological Properties
Globularity: 0.163211	Sterimol/B1: 1.969	Sterimol/B2: 4.18922	Sterimol/B3: 5.99492
Sterimol/B4: 7.58702	Sterimol/L: 15.6078

Surface and Volume Properties
Accessible surface: 573.076	Positive charged surface: 362.817	Negative charged surface: 210.259	Volume: 312.5
Hydrophobic surface: 422.244	Hydrophilic surface: 150.832

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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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Parent related molecule:

MMs00159651
ASINEX-ZINC00779889