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MMsINC code: MMs00654420

Type: Neutral
Formula: C₁₇H₁₂ClNOS

SMILES:

Clc1sc(cc1)C(=O)Nc1ccccc1-c1ccccc1

InChI:

InChI=1/C17H12ClNOS/c18-16-11-10-15(21-16)17(20)19-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-11H,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.6672 kcal/mol

Physical Properties
Molecular Weight: 313.808 g/mol	logS: -6.63347	SlogP: 5.3208	Reactive groups: 0

Topological Properties
Globularity: 0.0490814	Sterimol/B1: 2.56367	Sterimol/B2: 2.82201	Sterimol/B3: 3.23699
Sterimol/B4: 9.57742	Sterimol/L: 13.411

Surface and Volume Properties
Accessible surface: 524.529	Positive charged surface: 221.875	Negative charged surface: 298.689	Volume: 285
Hydrophobic surface: 492.63	Hydrophilic surface: 31.899

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.