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MMsINC code: MMs01670068

Type: Neutral
Formula: C₂₁H₂₁ClN₂O₂S

SMILES:

Clc1ccc(NC(c2ccccc2)c2ccccc2)cc1S(=O)(=O)N(C)C

InChI:

InChI=1/C21H21ClN2O2S/c1-24(2)27(25,26)20-15-18(13-14-19(20)22)23-21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,21,23H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.5884 kcal/mol

Physical Properties
Molecular Weight: 400.93 g/mol	logS: -5.36499	SlogP: 4.8873	Reactive groups: 0

Topological Properties
Globularity: 0.116346	Sterimol/B1: 3.40811	Sterimol/B2: 4.9317	Sterimol/B3: 5.67497
Sterimol/B4: 5.83707	Sterimol/L: 15.5358

Surface and Volume Properties
Accessible surface: 634.007	Positive charged surface: 358.14	Negative charged surface: 275.867	Volume: 370
Hydrophobic surface: 572.834	Hydrophilic surface: 61.173

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.