MMsINC Database Search


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MMsINC code: MMs01526772

Type: Neutral
Formula: C₁₃H₉Cl₂NO₄S

SMILES:

Clc1ccc(Cl)cc1NS(=O)(=O)c1cc(ccc1)C(O)=O

InChI:

InChI=1/C13H9Cl2NO4S/c14-9-4-5-11(15)12(7-9)16-21(19,20)10-3-1-2-8(6-10)13(17)18/h1-7,16H,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.5561 kcal/mol

Physical Properties
Molecular Weight: 346.19 g/mol	logS: -4.4847	SlogP: 3.4924	Reactive groups: 0

Topological Properties
Globularity: 0.223538	Sterimol/B1: 2.52565	Sterimol/B2: 3.6633	Sterimol/B3: 5.39848
Sterimol/B4: 6.55896	Sterimol/L: 13.1888

Surface and Volume Properties
Accessible surface: 498.463	Positive charged surface: 180.33	Negative charged surface: 318.133	Volume: 267.25
Hydrophobic surface: 327.604	Hydrophilic surface: 170.859

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs01526773
ENAMINE-ZINC03884711