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MMsINC code: MMs00538411

Type: Neutral
Formula: C₁₉H₂₃ClN₂O₂S

SMILES:

Clc1cc(N2CCN(S(=O)(=O)c3ccc(cc3)C(C)C)CC2)ccc1

InChI:

InChI=1/C19H23ClN2O2S/c1-15(2)16-6-8-19(9-7-16)25(23,24)22-12-10-21(11-13-22)18-5-3-4-17(20)14-18/h3-9,14-15H,10-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.852 kcal/mol

Physical Properties
Molecular Weight: 378.924 g/mol	logS: -5.40768	SlogP: 3.9743	Reactive groups: 0

Topological Properties
Globularity: 0.139673	Sterimol/B1: 3.96282	Sterimol/B2: 4.01352	Sterimol/B3: 4.99268
Sterimol/B4: 6.94406	Sterimol/L: 15.214

Surface and Volume Properties
Accessible surface: 616.538	Positive charged surface: 347.836	Negative charged surface: 268.702	Volume: 352.125
Hydrophobic surface: 508.302	Hydrophilic surface: 108.236

Pharmacophoric Properties
Hydrogen bond donors: 0	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.