MMsINC Database Search


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MMsINC code: MMs03670692

Type: Neutral
Formula: C₁₃H₁₁Cl₂NO₂S

SMILES:

Clc1cc(NS(=O)(=O)c2ccccc2Cl)ccc1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.2704 kcal/mol

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

Topological Properties
Globularity: 0.249441	Sterimol/B1: 3.22642	Sterimol/B2: 3.68485	Sterimol/B3: 4.78889
Sterimol/B4: 5.95548	Sterimol/L: 12.0104

Surface and Volume Properties
Accessible surface: 476.589	Positive charged surface: 196.299	Negative charged surface: 280.289	Volume: 259.5
Hydrophobic surface: 403.791	Hydrophilic surface: 72.798

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.