MMsINC Database Search


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MMsINC code: MMs03318875

Type: Neutral
Formula: C₁₂H₈Cl₂N₂O₄S

SMILES:

Clc1ccc(Cl)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1

InChI:

InChI=1/C12H8Cl2N2O4S/c13-8-1-6-11(14)12(7-8)21(19,20)15-9-2-4-10(5-3-9)16(17)18/h1-7,15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.6978 kcal/mol

Physical Properties
Molecular Weight: 347.178 g/mol	logS: -5.30553	SlogP: 3.7024	Reactive groups: 0

Topological Properties
Globularity: 0.269761	Sterimol/B1: 2.60534	Sterimol/B2: 3.73551	Sterimol/B3: 5.38884
Sterimol/B4: 6.38371	Sterimol/L: 11.8463

Surface and Volume Properties
Accessible surface: 491.815	Positive charged surface: 152.72	Negative charged surface: 339.094	Volume: 259.375
Hydrophobic surface: 336.794	Hydrophilic surface: 155.021

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: no related molecules available.