MMsINC Database Search


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MMsINC code: MMs02772372

Type: Neutral
Formula: C₁₃H₁₂Cl₂N₂O₄S₂

SMILES:

Clc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)C)cc2)cc(Cl)c1

InChI:

InChI=1/C13H12Cl2N2O4S2/c1-22(18,19)16-11-2-4-13(5-3-11)23(20,21)17-12-7-9(14)6-10(15)8-12/h2-8,16-17H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.1569 kcal/mol

Physical Properties
Molecular Weight: 395.287 g/mol	logS: -4.35328	SlogP: 3.1657	Reactive groups: 0

Topological Properties
Globularity: 0.138043	Sterimol/B1: 2.78457	Sterimol/B2: 3.99187	Sterimol/B3: 6.01741
Sterimol/B4: 6.2342	Sterimol/L: 14.9369

Surface and Volume Properties
Accessible surface: 559.709	Positive charged surface: 213.631	Negative charged surface: 346.078	Volume: 302.375
Hydrophobic surface: 386.026	Hydrophilic surface: 173.683

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: no related molecules available.