MMsINC Database Search


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MMsINC code: MMs02772360

Type: Neutral
Formula: C₁₈H₁₄Cl₂N₂O₄S₂

SMILES:

Clc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc(Cl)c1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.5036 kcal/mol

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

Topological Properties
Globularity: 0.183487	Sterimol/B1: 3.3763	Sterimol/B2: 3.46714	Sterimol/B3: 6.95907
Sterimol/B4: 6.97405	Sterimol/L: 14.655

Surface and Volume Properties
Accessible surface: 636.393	Positive charged surface: 254.175	Negative charged surface: 382.219	Volume: 359.375
Hydrophobic surface: 472.314	Hydrophilic surface: 164.079

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.