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MMsINC code: MMs01394134

Type: Neutral
Formula: C₁₅H₁₃Cl₂NO₄S

SMILES:

Clc1cc(Cl)c(S(=O)(=O)Nc2cc(cc(c2)C)C)cc1C(O)=O

InChI:

InChI=1/C15H13Cl2NO4S/c1-8-3-9(2)5-10(4-8)18-23(21,22)14-6-11(15(19)20)12(16)7-13(14)17/h3-7,18H,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.4831 kcal/mol

Physical Properties
Molecular Weight: 374.244 g/mol	logS: -5.43254	SlogP: 4.10924	Reactive groups: 0

Topological Properties
Globularity: 0.337532	Sterimol/B1: 2.2548	Sterimol/B2: 4.54609	Sterimol/B3: 5.28743
Sterimol/B4: 8.37062	Sterimol/L: 12.3163

Surface and Volume Properties
Accessible surface: 547.953	Positive charged surface: 251.575	Negative charged surface: 296.378	Volume: 303.375
Hydrophobic surface: 387.546	Hydrophilic surface: 160.407

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs01394135
ENAMINE-ZINC03358096