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MMsINC code: MMs00829469

Type: Neutral
Formula: C₁₃H₁₁FN₂O₃S

SMILES:

S(=O)(=O)(N)c1ccc(NC(=O)c2cc(F)ccc2)cc1

InChI:

InChI=1/C13H11FN2O3S/c14-10-3-1-2-9(8-10)13(17)16-11-4-6-12(7-5-11)20(15,18)19/h1-8H,(H,16,17)(H2,15,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.9848 kcal/mol

Physical Properties
Molecular Weight: 294.306 g/mol	logS: -3.87646	SlogP: 1.7254	Reactive groups: 0

Topological Properties
Globularity: 0.0241713	Sterimol/B1: 2.69755	Sterimol/B2: 3.0853	Sterimol/B3: 3.17085
Sterimol/B4: 5.04254	Sterimol/L: 16.419

Surface and Volume Properties
Accessible surface: 488.635	Positive charged surface: 229.074	Negative charged surface: 259.561	Volume: 242.25
Hydrophobic surface: 320.625	Hydrophilic surface: 168.01

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs00829470
CHEMDIV-ZINC00035620