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MMsINC code: MMs00125061

Type: Neutral
Formula: C₁₃H₁₁Cl₂NO₂S

SMILES:

Clc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1C

InChI:

InChI=1/C13H11Cl2NO2S/c1-9-8-10(6-7-11(9)14)19(17,18)16-13-5-3-2-4-12(13)15/h2-8,16H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.6809 kcal/mol

Physical Properties
Molecular Weight: 316.208 g/mol	logS: -4.67577	SlogP: 4.10262	Reactive groups: 0

Topological Properties
Globularity: 0.227688	Sterimol/B1: 3.62341	Sterimol/B2: 4.62575	Sterimol/B3: 4.96779
Sterimol/B4: 5.44187	Sterimol/L: 12.3731

Surface and Volume Properties
Accessible surface: 483.186	Positive charged surface: 188.209	Negative charged surface: 294.977	Volume: 258.75
Hydrophobic surface: 407.845	Hydrophilic surface: 75.341

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.