MMsINC Database Search


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MMsINC code: MMs03266586

Type: Ionized
Formula: C₆HCl₄O₃S-

SMILES:

Clc1c(S(=O)(=O)[O-])c(Cl)c(Cl)cc1Cl

InChI:

InChI=1/C6H2Cl4O3S/c7-2-1-3(8)5(10)6(4(2)9)14(11,12)13/h1H,(H,11,12,13)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.1575 kcal/mol

Physical Properties
Molecular Weight: 294.949 g/mol	logS: -4.44363	SlogP: 3.2043	Reactive groups: 0

Topological Properties
Globularity: 0.055534	Sterimol/B1: 2.59075	Sterimol/B2: 3.18909	Sterimol/B3: 4.80478
Sterimol/B4: 4.80598	Sterimol/L: 9.39172

Surface and Volume Properties
Accessible surface: 375.502	Positive charged surface: 44.0663	Negative charged surface: 331.435	Volume: 182.125
Hydrophobic surface: 277.705	Hydrophilic surface: 97.797

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 3	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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Parent related molecule:

MMs03266585
PUBCHEM-ZINC05425548