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MMsINC code: MMs00065324

Type: Neutral
Formula: C₁₃H₁₁FN₂O₃S

SMILES:

S(=O)(=O)(N)c1ccc(NC(=O)c2ccc(F)cc2)cc1

InChI:

InChI=1/C13H11FN2O3S/c14-10-3-1-9(2-4-10)13(17)16-11-5-7-12(8-6-11)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)=40.3763 kcal/mol

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

Topological Properties
Globularity: 0.0242616	Sterimol/B1: 2.47047	Sterimol/B2: 3.00916	Sterimol/B3: 3.34209
Sterimol/B4: 5.08519	Sterimol/L: 16.6359

Surface and Volume Properties
Accessible surface: 489.23	Positive charged surface: 231.952	Negative charged surface: 257.277	Volume: 241.375
Hydrophobic surface: 319.431	Hydrophilic surface: 169.799

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

MMs00065325
ASINEX-ZINC00051779