MMsINC Database Search


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MMsINC code: MMs03670705

Type: Neutral
Formula: C₁₃H₁₁Cl₂NO₂S

SMILES:

Clc1cccc(NS(=O)(=O)c2ccccc2Cl)c1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.4745 kcal/mol

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

Topological Properties
Globularity: 0.125496	Sterimol/B1: 3.5001	Sterimol/B2: 3.57453	Sterimol/B3: 4.38603
Sterimol/B4: 6.08019	Sterimol/L: 13.3883

Surface and Volume Properties
Accessible surface: 471.488	Positive charged surface: 181.129	Negative charged surface: 290.358	Volume: 254.5
Hydrophobic surface: 404.681	Hydrophilic surface: 66.807

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.