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MMsINC code: MMs03303691

Type: Neutral
Formula: C₁₅H₁₄ClNO₆S

SMILES:

Clc1ccc(S(=O)(=O)NC(Cc2cc(O)c(O)cc2)C(O)=O)cc1

InChI:

InChI=1/C15H14ClNO6S/c16-10-2-4-11(5-3-10)24(22,23)17-12(15(20)21)7-9-1-6-13(18)14(19)8-9/h1-6,8,12,17-19H,7H2,(H,20,21)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.3663 kcal/mol

Physical Properties
Molecular Weight: 371.797 g/mol	logS: -3.05846	SlogP: 1.72537	Reactive groups: 0

Topological Properties
Globularity: 0.12818	Sterimol/B1: 3.18728	Sterimol/B2: 3.65613	Sterimol/B3: 4.06672
Sterimol/B4: 6.1799	Sterimol/L: 16.6399

Surface and Volume Properties
Accessible surface: 554.058	Positive charged surface: 268.435	Negative charged surface: 285.623	Volume: 301.125
Hydrophobic surface: 325.396	Hydrophilic surface: 228.662

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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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Ions/Tautomers related molecules

MMs03303692
PUBCHEM-ZINC05547009