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MMsINC code: MMs02590154

Type: Neutral
Formula: C₁₅H₁₄ClNOS

SMILES:

Clc1cc(ccc1)CSCC(=O)Nc1ccccc1

InChI:

InChI=1/C15H14ClNOS/c16-13-6-4-5-12(9-13)10-19-11-15(18)17-14-7-2-1-3-8-14/h1-9H,10-11H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.0506 kcal/mol

Physical Properties
Molecular Weight: 291.802 g/mol	logS: -5.08104	SlogP: 4.4783	Reactive groups: 0

Topological Properties
Globularity: 0.0437228	Sterimol/B1: 3.36561	Sterimol/B2: 3.44347	Sterimol/B3: 4.05175
Sterimol/B4: 4.61341	Sterimol/L: 17.2548

Surface and Volume Properties
Accessible surface: 544.992	Positive charged surface: 279.18	Negative charged surface: 265.812	Volume: 273.25
Hydrophobic surface: 468.163	Hydrophilic surface: 76.829

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.