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MMsINC code: MMs00844728

Type: Neutral
Formula: C₁₅H₁₅ClN₂O₃S

SMILES:

Clc1cc(C)c(NC(=O)NS(=O)(=O)c2ccc(cc2)C)cc1

InChI:

InChI=1/C15H15ClN2O3S/c1-10-3-6-13(7-4-10)22(20,21)18-15(19)17-14-8-5-12(16)9-11(14)2/h3-9H,1-2H3,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=10.8409 kcal/mol

Physical Properties
Molecular Weight: 338.815 g/mol	logS: -4.84382	SlogP: 3.46724	Reactive groups: 0

Topological Properties
Globularity: 0.0687677	Sterimol/B1: 2.55794	Sterimol/B2: 3.96741	Sterimol/B3: 5.00089
Sterimol/B4: 7.46372	Sterimol/L: 14.8453

Surface and Volume Properties
Accessible surface: 556.136	Positive charged surface: 263.222	Negative charged surface: 292.914	Volume: 292.75
Hydrophobic surface: 445.244	Hydrophilic surface: 110.892

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: no related molecules available.