MMsINC Database Search


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MMsINC code: MMs00124658

Type: Neutral
Formula: C₁₃H₉Cl₂NO₃S

SMILES:

Clc1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(Cl)cc1

InChI:

InChI=1/C13H9Cl2NO3S/c14-10-3-1-9(2-4-10)13(17)16-20(18,19)12-7-5-11(15)6-8-12/h1-8H,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.7227 kcal/mol

Physical Properties
Molecular Weight: 330.191 g/mol	logS: -5.04654	SlogP: 3.1121	Reactive groups: 0

Topological Properties
Globularity: 0.119735	Sterimol/B1: 2.84949	Sterimol/B2: 4.03295	Sterimol/B3: 4.37456
Sterimol/B4: 6.0421	Sterimol/L: 15.593

Surface and Volume Properties
Accessible surface: 507.063	Positive charged surface: 169.195	Negative charged surface: 337.869	Volume: 262
Hydrophobic surface: 413.433	Hydrophilic surface: 93.63

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.