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MMsINC code: MMs01636684

Type: Neutral
Formula: C₁₆H₁₆ClFN₂O₃S

SMILES:

Clc1cc(S(=O)(=O)NCc2ccc(cc2)C(=O)N(C)C)ccc1F

InChI:

InChI=1/C16H16ClFN2O3S/c1-20(2)16(21)12-5-3-11(4-6-12)10-19-24(22,23)13-7-8-15(18)14(17)9-13/h3-9,19H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.9579 kcal/mol

Physical Properties
Molecular Weight: 370.832 g/mol	logS: -4.06017	SlogP: 2.9258	Reactive groups: 0

Topological Properties
Globularity: 0.061184	Sterimol/B1: 3.50743	Sterimol/B2: 3.74264	Sterimol/B3: 5.1251
Sterimol/B4: 5.3038	Sterimol/L: 16.8666

Surface and Volume Properties
Accessible surface: 592.484	Positive charged surface: 311.428	Negative charged surface: 281.056	Volume: 314.5
Hydrophobic surface: 472.626	Hydrophilic surface: 119.858

Pharmacophoric Properties
Hydrogen bond donors: 1	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.