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MMsINC code: MMs02778264

Type: Neutral
Formula: C₂₀H₂₂Cl₂N₂O₃S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)CC(=O)N1CCCCC1

InChI:

InChI=1/C20H22Cl2N2O3S/c21-17-9-10-18(22)19(13-17)28(26,27)24(14-16-7-3-1-4-8-16)15-20(25)23-11-5-2-6-12-23/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.2219 kcal/mol

Physical Properties
Molecular Weight: 441.379 g/mol	logS: -5.35565	SlogP: 4.4632	Reactive groups: 0

Topological Properties
Globularity: 0.105648	Sterimol/B1: 2.7772	Sterimol/B2: 3.6072	Sterimol/B3: 4.3941
Sterimol/B4: 11.612	Sterimol/L: 15.0061

Surface and Volume Properties
Accessible surface: 630.199	Positive charged surface: 344.093	Negative charged surface: 286.107	Volume: 382
Hydrophobic surface: 566.516	Hydrophilic surface: 63.683

Pharmacophoric Properties
Hydrogen bond donors: 0	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.