MMsINC Database Search


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MMsINC code: MMs00051301

Type: Ionized
Formula: C₆H₄Cl₂NO₂S-

SMILES:

Clc1cc(Cl)ccc1S(=O)([O-])=[NH]

InChI:

InChI=1/C6H4Cl2NO2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,(H-,9,10,11)/q-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=19.5949 kcal/mol

Physical Properties
Molecular Weight: 225.075 g/mol	logS: -3.10446	SlogP: 1.965	Reactive groups: 0

Topological Properties
Globularity: 0.0667033	Sterimol/B1: 2.65607	Sterimol/B2: 3.0951	Sterimol/B3: 3.35759
Sterimol/B4: 5.73253	Sterimol/L: 11.0081

Surface and Volume Properties
Accessible surface: 350.449	Positive charged surface: 78.011	Negative charged surface: 272.438	Volume: 160.25
Hydrophobic surface: 246.373	Hydrophilic surface: 104.076

Pharmacophoric Properties
Hydrogen bond donors: 1	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

search links for this molecule:

Parent related molecule:

MMs00051300
APOLLO-ZINC02243445