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MMsINC code: MMs02824902

Type: Ionized
Formula: C₁₄H₈ClNO₆S-2

SMILES:

Clc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1C(=O)[O-]

InChI:

InChI=1/C14H10ClNO6S/c15-11-6-5-8(7-10(11)14(19)20)23(21,22)16-12-4-2-1-3-9(12)13(17)18/h1-7,16H,(H,17,18)(H,19,20)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.9505 kcal/mol

Physical Properties
Molecular Weight: 353.738 g/mol	logS: -4.24071	SlogP: -0.1322	Reactive groups: 0

Topological Properties
Globularity: 0.353961	Sterimol/B1: 2.68183	Sterimol/B2: 4.19886	Sterimol/B3: 5.7389
Sterimol/B4: 6.77129	Sterimol/L: 12.5089

Surface and Volume Properties
Accessible surface: 495.171	Positive charged surface: 157.819	Negative charged surface: 337.352	Volume: 273.875
Hydrophobic surface: 269.861	Hydrophilic surface: 225.31

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 4	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:

MMs02824901
PUBCHEM-ZINC01848537