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MMsINC code: MMs00639144

Type: Neutral
Formula: C₂₀H₁₆ClNOS

SMILES:

Clc1cc(NC(=O)C(Sc2ccccc2)c2ccccc2)ccc1

InChI:

InChI=1/C20H16ClNOS/c21-16-10-7-11-17(14-16)22-20(23)19(15-8-3-1-4-9-15)24-18-12-5-2-6-13-18/h1-14,19H,(H,22,23)/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.739 kcal/mol

Physical Properties
Molecular Weight: 353.873 g/mol	logS: -6.9049	SlogP: 5.9076	Reactive groups: 0

Topological Properties
Globularity: 0.0942251	Sterimol/B1: 2.45799	Sterimol/B2: 3.45907	Sterimol/B3: 4.45429
Sterimol/B4: 8.50076	Sterimol/L: 16.6273

Surface and Volume Properties
Accessible surface: 600.159	Positive charged surface: 281.365	Negative charged surface: 318.794	Volume: 329.125
Hydrophobic surface: 543.767	Hydrophilic surface: 56.392

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.