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MMsINC code: MMs00590493

Type: Neutral
Formula: C₁₇H₁₈ClNOS

SMILES:

Clc1ccc(cc1)CSCC(=O)Nc1ccc(cc1)CC

InChI:

InChI=1/C17H18ClNOS/c1-2-13-5-9-16(10-6-13)19-17(20)12-21-11-14-3-7-15(18)8-4-14/h3-10H,2,11-12H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.4516 kcal/mol

Physical Properties
Molecular Weight: 319.856 g/mol	logS: -6.07018	SlogP: 5.04067	Reactive groups: 0

Topological Properties
Globularity: 0.034064	Sterimol/B1: 2.97406	Sterimol/B2: 3.19655	Sterimol/B3: 4.31136
Sterimol/B4: 5.22267	Sterimol/L: 20.4811

Surface and Volume Properties
Accessible surface: 604.147	Positive charged surface: 331.502	Negative charged surface: 272.645	Volume: 307.625
Hydrophobic surface: 502.119	Hydrophilic surface: 102.028

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.