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MMsINC code: MMs01516694

Type: Neutral
Formula: C₂₂H₂₀ClFN₂O₃S

SMILES:

Clc1cc(ccc1)CNC(=O)CN(S(=O)(=O)c1ccccc1F)Cc1ccccc1

InChI:

InChI=1/C22H20ClFN2O3S/c23-19-10-6-9-18(13-19)14-25-22(27)16-26(15-17-7-2-1-3-8-17)30(28,29)21-12-5-4-11-20(21)24/h1-13H,14-16H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.1677 kcal/mol

Physical Properties
Molecular Weight: 446.93 g/mol	logS: -6.03608	SlogP: 4.5192	Reactive groups: 0

Topological Properties
Globularity: 0.0674932	Sterimol/B1: 2.59176	Sterimol/B2: 3.60741	Sterimol/B3: 4.09836
Sterimol/B4: 11.489	Sterimol/L: 16.9949

Surface and Volume Properties
Accessible surface: 678.863	Positive charged surface: 338.022	Negative charged surface: 340.841	Volume: 393.125
Hydrophobic surface: 593.18	Hydrophilic surface: 85.683

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.