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MMsINC code: MMs02662408

Type: Neutral
Formula: C₁₃H₁₂Cl₂N₂O₂S

SMILES:

Clc1cccc(Cl)c1CNc1ccc(S(=O)(=O)N)cc1

InChI:

InChI=1/C13H12Cl2N2O2S/c14-12-2-1-3-13(15)11(12)8-17-9-4-6-10(7-5-9)20(16,18)19/h1-7,17H,8H2,(H2,16,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.8565 kcal/mol

Physical Properties
Molecular Weight: 331.223 g/mol	logS: -4.64443	SlogP: 3.5193	Reactive groups: 0

Topological Properties
Globularity: 0.0707724	Sterimol/B1: 3.54771	Sterimol/B2: 3.87073	Sterimol/B3: 4.6286
Sterimol/B4: 4.8347	Sterimol/L: 16.2122

Surface and Volume Properties
Accessible surface: 525.667	Positive charged surface: 218.769	Negative charged surface: 306.899	Volume: 268.625
Hydrophobic surface: 376.647	Hydrophilic surface: 149.02

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs02662409
PUBCHEM-ZINC00360392