MMsINC Database Search


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MMsINC code: MMs00175792

Type: Neutral
Formula: C₁₂H₁₂ClNO₂S₂

SMILES:

Clc1sc(S(=O)(=O)N(Cc2ccccc2)C)cc1

InChI:

InChI=1/C12H12ClNO2S2/c1-14(9-10-5-3-2-4-6-10)18(15,16)12-8-7-11(13)17-12/h2-8H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.7679 kcal/mol

Physical Properties
Molecular Weight: 301.818 g/mol	logS: -4.0769	SlogP: 3.4886	Reactive groups: 0

Topological Properties
Globularity: 0.0793204	Sterimol/B1: 1.97133	Sterimol/B2: 3.64653	Sterimol/B3: 3.8932
Sterimol/B4: 6.27545	Sterimol/L: 15.8853

Surface and Volume Properties
Accessible surface: 487.483	Positive charged surface: 218.596	Negative charged surface: 268.887	Volume: 254.5
Hydrophobic surface: 433.915	Hydrophilic surface: 53.568

Pharmacophoric Properties
Hydrogen bond donors: 0	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.