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MMsINC code: MMs02597454

Type: Neutral
Formula: C₁₆H₁₆ClNOS

SMILES:

Clc1ccc(NC(=O)CSCc2ccc(cc2)C)cc1

InChI:

InChI=1/C16H16ClNOS/c1-12-2-4-13(5-3-12)10-20-11-16(19)18-15-8-6-14(17)7-9-15/h2-9H,10-11H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.5987 kcal/mol

Physical Properties
Molecular Weight: 305.829 g/mol	logS: -5.55496	SlogP: 4.78672	Reactive groups: 0

Topological Properties
Globularity: 0.0396812	Sterimol/B1: 3.14299	Sterimol/B2: 3.35512	Sterimol/B3: 4.09034
Sterimol/B4: 5.00439	Sterimol/L: 19.5263

Surface and Volume Properties
Accessible surface: 575.009	Positive charged surface: 304.128	Negative charged surface: 270.881	Volume: 288.25
Hydrophobic surface: 499.811	Hydrophilic surface: 75.198

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.