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MMsINC code: MMs01439806

Type: Ionized
Formula: C₁₉H₁₂Cl₂NO₄S-

SMILES:

Clc1cc(Cl)c(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1C(=O)[O-]

InChI:

InChI=1/C19H13Cl2NO4S/c20-15-11-16(21)18(10-14(15)19(23)24)27(25,26)22-17-9-5-4-8-13(17)12-6-2-1-3-7-12/h1-11,22H,(H,23,24)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.1891 kcal/mol

Physical Properties
Molecular Weight: 421.28 g/mol	logS: -7.17153	SlogP: 3.8247	Reactive groups: 0

Topological Properties
Globularity: 0.113276	Sterimol/B1: 2.94769	Sterimol/B2: 3.34712	Sterimol/B3: 4.61599
Sterimol/B4: 7.74455	Sterimol/L: 15.9907

Surface and Volume Properties
Accessible surface: 602.316	Positive charged surface: 223.679	Negative charged surface: 377.783	Volume: 346.5
Hydrophobic surface: 469.326	Hydrophilic surface: 132.99

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 2	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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Parent related molecule:

MMs01439805
ENAMINE-ZINC03434606