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MMsINC code: MMs00627018

Type: Neutral
Formula: C₁₅H₁₄ClNOS

SMILES:

Clc1cc(C)c(NC(=O)CSc2ccccc2)cc1

InChI:

InChI=1/C15H14ClNOS/c1-11-9-12(16)7-8-14(11)17-15(18)10-19-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.4149 kcal/mol

Physical Properties
Molecular Weight: 291.802 g/mol	logS: -5.29747	SlogP: 4.37922	Reactive groups: 0

Topological Properties
Globularity: 0.0121433	Sterimol/B1: 2.0181	Sterimol/B2: 2.24713	Sterimol/B3: 2.87659
Sterimol/B4: 6.67915	Sterimol/L: 17.7203

Surface and Volume Properties
Accessible surface: 523.689	Positive charged surface: 255.286	Negative charged surface: 268.404	Volume: 269.75
Hydrophobic surface: 456.541	Hydrophilic surface: 67.148

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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.