MMsINC Database Search


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MMsINC code: MMs03014788

Type: Neutral
Formula: C₁₃H₁₂Cl₂N₂O₂S

SMILES:

Clc1cc(N)c(Cl)cc1NS(=O)(=O)c1ccc(cc1)C

InChI:

InChI=1/C13H12Cl2N2O2S/c1-8-2-4-9(5-3-8)20(18,19)17-13-7-10(14)12(16)6-11(13)15/h2-7,17H,16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.0806 kcal/mol

Physical Properties
Molecular Weight: 331.223 g/mol	logS: -4.7101	SlogP: 3.68482	Reactive groups: 0

Topological Properties
Globularity: 0.191244	Sterimol/B1: 2.43563	Sterimol/B2: 4.50612	Sterimol/B3: 4.88707
Sterimol/B4: 7.53938	Sterimol/L: 12.5189

Surface and Volume Properties
Accessible surface: 503.151	Positive charged surface: 214.973	Negative charged surface: 288.178	Volume: 268.625
Hydrophobic surface: 372.318	Hydrophilic surface: 130.833

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: no related molecules available.