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MMsINC code: MMs02150561

Type: Neutral
Formula: C₁₆H₁₆Cl₂N₂OS

SMILES:

Clc1sc(Cl)cc1C(=O)Nc1ccccc1N1CCCCC1

InChI:

InChI=1/C16H16Cl2N2OS/c17-14-10-11(15(18)22-14)16(21)19-12-6-2-3-7-13(12)20-8-4-1-5-9-20/h2-3,6-7,10H,1,4-5,8-9H2,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.226 kcal/mol

Physical Properties
Molecular Weight: 355.289 g/mol	logS: -5.78128	SlogP: 5.2975	Reactive groups: 0

Topological Properties
Globularity: 0.112693	Sterimol/B1: 2.49859	Sterimol/B2: 3.28372	Sterimol/B3: 4.10605
Sterimol/B4: 10.1472	Sterimol/L: 13.7103

Surface and Volume Properties
Accessible surface: 562.404	Positive charged surface: 264.823	Negative charged surface: 297.581	Volume: 308.25
Hydrophobic surface: 531.105	Hydrophilic surface: 31.299

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.