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MMsINC code: MMs00185668

Type: Neutral
Formula: C₂₂H₂₁ClN₂O₃S

SMILES:

Clc1cc(N(S(=O)(=O)c2ccccc2)CC(=O)NCc2ccccc2C)ccc1

InChI:

InChI=1/C22H21ClN2O3S/c1-17-8-5-6-9-18(17)15-24-22(26)16-25(20-11-7-10-19(23)14-20)29(27,28)21-12-3-2-4-13-21/h2-14H,15-16H2,1H3,(H,24,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.7741 kcal/mol

Physical Properties
Molecular Weight: 428.94 g/mol	logS: -6.27098	SlogP: 4.42652	Reactive groups: 0

Topological Properties
Globularity: 0.119135	Sterimol/B1: 3.79228	Sterimol/B2: 4.23102	Sterimol/B3: 5.94167
Sterimol/B4: 8.49157	Sterimol/L: 15.8887

Surface and Volume Properties
Accessible surface: 668.86	Positive charged surface: 332.601	Negative charged surface: 336.258	Volume: 389.625
Hydrophobic surface: 580.638	Hydrophilic surface: 88.222

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.