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MMsINC code: MMs03001513

Type: Ionized
Formula: C₁₄H₁₀Cl₂NO₄S-

SMILES:

Clc1cc(Cl)cc(C(=O)[O-])c1NS(=O)(=O)c1ccc(cc1)C

InChI:

InChI=1/C14H11Cl2NO4S/c1-8-2-4-10(5-3-8)22(20,21)17-13-11(14(18)19)6-9(15)7-12(13)16/h2-7,17H,1H3,(H,18,19)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.2338 kcal/mol

Physical Properties
Molecular Weight: 359.209 g/mol	logS: -5.21907	SlogP: 2.46612	Reactive groups: 0

Topological Properties
Globularity: 0.274914	Sterimol/B1: 3.62391	Sterimol/B2: 4.41566	Sterimol/B3: 5.1834
Sterimol/B4: 6.9842	Sterimol/L: 12.3943

Surface and Volume Properties
Accessible surface: 502.441	Positive charged surface: 179.704	Negative charged surface: 322.737	Volume: 285
Hydrophobic surface: 375.229	Hydrophilic surface: 127.212

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 2	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:

MMs03001512
PUBCHEM-ZINC03148989