MMsINC Database Search


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MMsINC code: MMs02137036

Type: Neutral
Formula: C₁₂H₁₂ClNO₂S₂

SMILES:

Clc1ccc(cc1)CS(=O)(=O)NCc1sccc1

InChI:

InChI=1/C12H12ClNO2S2/c13-11-5-3-10(4-6-11)9-18(15,16)14-8-12-2-1-7-17-12/h1-7,14H,8-9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.9684 kcal/mol

Physical Properties
Molecular Weight: 301.818 g/mol	logS: -3.47576	SlogP: 3.5539	Reactive groups: 0

Topological Properties
Globularity: 0.0453266	Sterimol/B1: 2.571	Sterimol/B2: 3.29041	Sterimol/B3: 4.15677
Sterimol/B4: 4.21421	Sterimol/L: 17.533

Surface and Volume Properties
Accessible surface: 512.096	Positive charged surface: 213.994	Negative charged surface: 298.102	Volume: 254.875
Hydrophobic surface: 429.9	Hydrophilic surface: 82.196

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.