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MMsINC code: MMs03376848

Type: Neutral
Formula: C₁₄H₁₁Cl₂NO₄S

SMILES:

Clc1ccc(N(S(=O)(=O)c2ccc(Cl)cc2)CC(O)=O)cc1

InChI:

InChI=1/C14H11Cl2NO4S/c15-10-1-5-12(6-2-10)17(9-14(18)19)22(20,21)13-7-3-11(16)4-8-13/h1-8H,9H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.0511 kcal/mol

Physical Properties
Molecular Weight: 360.217 g/mol	logS: -4.58672	SlogP: 3.2733	Reactive groups: 0

Topological Properties
Globularity: 0.166609	Sterimol/B1: 3.1155	Sterimol/B2: 4.80244	Sterimol/B3: 5.0543
Sterimol/B4: 6.59275	Sterimol/L: 14.3649

Surface and Volume Properties
Accessible surface: 532.33	Positive charged surface: 207.908	Negative charged surface: 324.422	Volume: 289
Hydrophobic surface: 395.449	Hydrophilic surface: 136.881

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	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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Ions/Tautomers related molecules

MMs03376849
PUBCHEM-ZINC05763509