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MMsINC code: MMs01338996

Type: Neutral
Formula: C₁₂H₁₀ClNOS

SMILES:

Clc1sc(cc1)C(=O)Nc1ccc(cc1)C

InChI:

InChI=1/C12H10ClNOS/c1-8-2-4-9(5-3-8)14-12(15)10-6-7-11(13)16-10/h2-7H,1H3,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.7356 kcal/mol

Physical Properties
Molecular Weight: 251.737 g/mol	logS: -4.68101	SlogP: 3.96222	Reactive groups: 0

Topological Properties
Globularity: 0.0161206	Sterimol/B1: 2.48897	Sterimol/B2: 2.73551	Sterimol/B3: 3.21671
Sterimol/B4: 4.23314	Sterimol/L: 15.7502

Surface and Volume Properties
Accessible surface: 463.031	Positive charged surface: 196.063	Negative charged surface: 266.967	Volume: 221.125
Hydrophobic surface: 422.097	Hydrophilic surface: 40.934

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.