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MMsINC code: MMs02781975

Type: Neutral
Formula: C₂₃H₂₃ClN₂O₃S

SMILES:

Clc1ccc(N(S(=O)(=O)c2ccc(cc2)C)CC(=O)Nc2ccc(cc2C)C)cc1

InChI:

InChI=1/C23H23ClN2O3S/c1-16-4-11-21(12-5-16)30(28,29)26(20-9-7-19(24)8-10-20)15-23(27)25-22-13-6-17(2)14-18(22)3/h4-14H,15H2,1-3H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.147 kcal/mol

Physical Properties
Molecular Weight: 442.967 g/mol	logS: -6.96133	SlogP: 5.09926	Reactive groups: 0

Topological Properties
Globularity: 0.0987596	Sterimol/B1: 2.75258	Sterimol/B2: 4.24261	Sterimol/B3: 4.49758
Sterimol/B4: 10.5209	Sterimol/L: 18.8628

Surface and Volume Properties
Accessible surface: 711.605	Positive charged surface: 371.586	Negative charged surface: 340.019	Volume: 407.625
Hydrophobic surface: 642.231	Hydrophilic surface: 69.374

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.