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MMsINC code: MMs01405338

Type: Neutral
Formula: C₁₃H₁₄ClN₃O₄S₂

SMILES:

Clc1ncc(S(=O)(=O)NCCc2ccc(S(=O)(=O)N)cc2)cc1

InChI:

InChI=1/C13H14ClN3O4S2/c14-13-6-5-12(9-16-13)23(20,21)17-8-7-10-1-3-11(4-2-10)22(15,18)19/h1-6,9,17H,7-8H2,(H2,15,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=3.25225 kcal/mol

Physical Properties
Molecular Weight: 375.857 g/mol	logS: -3.06625	SlogP: 0.90337	Reactive groups: 0

Topological Properties
Globularity: 0.0729083	Sterimol/B1: 2.99641	Sterimol/B2: 3.15938	Sterimol/B3: 4.09553
Sterimol/B4: 7.58293	Sterimol/L: 16.1212

Surface and Volume Properties
Accessible surface: 577.062	Positive charged surface: 257.586	Negative charged surface: 319.476	Volume: 297.375
Hydrophobic surface: 339.806	Hydrophilic surface: 237.256

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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

MMs01405339
ENAMINE-ZINC03378377