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MMsINC code: MMs00159651

Type: Neutral
Formula: C₁₉H₁₆FNO₅

SMILES:

Fc1ccccc1C1NC(=O)C(O)=C1C(=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/h3-9,16,23H,1-2H3,(H,21,24)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.2809 kcal/mol

Physical Properties
Molecular Weight: 357.337 g/mol	logS: -4.36433	SlogP: 2.8043	Reactive groups: 1

Topological Properties
Globularity: 0.229148	Sterimol/B1: 2.28856	Sterimol/B2: 3.9255	Sterimol/B3: 6.47294
Sterimol/B4: 6.92294	Sterimol/L: 14.6066

Surface and Volume Properties
Accessible surface: 572.652	Positive charged surface: 371.207	Negative charged surface: 201.445	Volume: 314.25
Hydrophobic surface: 413.568	Hydrophilic surface: 159.084

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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Ions/Tautomers related molecules

MMs00159652
ASINEX-ZINC00779889