MMsINC Database Search


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MMsINC code: MMs02771471

Type: Neutral
Formula: C₂₃H₂₃ClN₂O₃S

SMILES:

Clc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)C)cc1

InChI:

InChI=1/C23H23ClN2O3S/c1-25(30(28,29)22-14-12-21(24)13-15-22)18-23(27)26(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-15H,16-18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.1702 kcal/mol

Physical Properties
Molecular Weight: 442.967 g/mol	logS: -5.63511	SlogP: 4.7223	Reactive groups: 0

Topological Properties
Globularity: 0.169571	Sterimol/B1: 2.28454	Sterimol/B2: 6.28334	Sterimol/B3: 7.28179
Sterimol/B4: 8.07818	Sterimol/L: 15.971

Surface and Volume Properties
Accessible surface: 702.372	Positive charged surface: 355.431	Negative charged surface: 346.941	Volume: 409
Hydrophobic surface: 625.713	Hydrophilic surface: 76.659

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.