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MMsINC code: MMs00861307

Type: Neutral
Formula: C₁₇H₁₃Cl₂N₃O₄S

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)Nc1ccc(S(=O)(=O)N)cc1

InChI:

InChI=1/C17H13Cl2N3O4S/c1-9-14(16(22-26-9)15-12(18)3-2-4-13(15)19)17(23)21-10-5-7-11(8-6-10)27(20,24)25/h2-8H,1H3,(H,21,23)(H2,20,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.2939 kcal/mol

Physical Properties
Molecular Weight: 426.28 g/mol	logS: -6.40498	SlogP: 3.85652	Reactive groups: 0

Topological Properties
Globularity: 0.0994868	Sterimol/B1: 2.27184	Sterimol/B2: 4.27326	Sterimol/B3: 4.75408
Sterimol/B4: 10.2561	Sterimol/L: 15.2824

Surface and Volume Properties
Accessible surface: 610.696	Positive charged surface: 255.203	Negative charged surface: 355.493	Volume: 338
Hydrophobic surface: 438.052	Hydrophilic surface: 172.644

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

MMs00861308
CHEMDIV-ZINC00997869