MMsINC Database Search


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MMsINC code: MMs02777342

Type: Neutral
Formula: C₁₈H₁₄Cl₂N₂O₄S₂

SMILES:

Clc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1

InChI:

InChI=1/C18H14Cl2N2O4S2/c19-13-6-11-18(17(20)12-13)22-28(25,26)16-9-7-14(8-10-16)21-27(23,24)15-4-2-1-3-5-15/h1-12,21-22H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.0181 kcal/mol

Physical Properties
Molecular Weight: 457.358 g/mol	logS: -6.17714	SlogP: 4.595	Reactive groups: 0

Topological Properties
Globularity: 0.125143	Sterimol/B1: 3.22984	Sterimol/B2: 4.09299	Sterimol/B3: 5.48301
Sterimol/B4: 6.50027	Sterimol/L: 16.3513

Surface and Volume Properties
Accessible surface: 634.947	Positive charged surface: 242.988	Negative charged surface: 391.958	Volume: 363.375
Hydrophobic surface: 478.059	Hydrophilic surface: 156.888

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: 0

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Ions/Tautomers related molecules: no related molecules available.