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MMsINC code: MMs01626492

Type: Neutral
Formula: C₁₄H₁₄Cl₂N₂O₄S₂

SMILES:

Clc1c(S(=O)(=O)Nc2ccc(S(=O)(=O)N)cc2)c(C)c(Cl)cc1C

InChI:

InChI=1/C14H14Cl2N2O4S2/c1-8-7-12(15)9(2)14(13(8)16)24(21,22)18-10-3-5-11(6-4-10)23(17,19)20/h3-7,18H,1-2H3,(H2,17,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.191 kcal/mol

Physical Properties
Molecular Weight: 409.314 g/mol	logS: -5.06285	SlogP: 3.05844	Reactive groups: 0

Topological Properties
Globularity: 0.168378	Sterimol/B1: 2.19404	Sterimol/B2: 3.73345	Sterimol/B3: 5.82069
Sterimol/B4: 7.93072	Sterimol/L: 13.602

Surface and Volume Properties
Accessible surface: 549.94	Positive charged surface: 228.586	Negative charged surface: 321.354	Volume: 313
Hydrophobic surface: 351.148	Hydrophilic surface: 198.792

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs01626493
ENAMINE-ZINC05602664