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MMsINC code: MMs00793681

Type: Neutral
Formula: C₁₄H₁₈ClNOS

SMILES:

Clc1cc(C)c(NC(=O)CSC2CCCC2)cc1

InChI:

InChI=1/C14H18ClNOS/c1-10-8-11(15)6-7-13(10)16-14(17)9-18-12-4-2-3-5-12/h6-8,12H,2-5,9H2,1H3,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.8471 kcal/mol

Physical Properties
Molecular Weight: 283.823 g/mol	logS: -4.42953	SlogP: 4.26272	Reactive groups: 0

Topological Properties
Globularity: 0.0366508	Sterimol/B1: 1.98185	Sterimol/B2: 3.34805	Sterimol/B3: 3.61742
Sterimol/B4: 6.7797	Sterimol/L: 17.3036

Surface and Volume Properties
Accessible surface: 530.018	Positive charged surface: 314.465	Negative charged surface: 215.552	Volume: 268.75
Hydrophobic surface: 469.211	Hydrophilic surface: 60.807

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.