MMsINC Database Search


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MMsINC code: MMs00065323

Type: Ionized
Formula: C₁₄H₁₁ClNO₄S-

SMILES:

Clc1ccc(S(=O)(=O)Nc2cc(ccc2)C)cc1C(=O)[O-]

InChI:

InChI=1/C14H12ClNO4S/c1-9-3-2-4-10(7-9)16-21(19,20)11-5-6-13(15)12(8-11)14(17)18/h2-8,16H,1H3,(H,17,18)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.782 kcal/mol

Physical Properties
Molecular Weight: 324.764 g/mol	logS: -4.48478	SlogP: 1.81272	Reactive groups: 0

Topological Properties
Globularity: 0.41399	Sterimol/B1: 2.1693	Sterimol/B2: 3.27176	Sterimol/B3: 5.79577
Sterimol/B4: 7.19235	Sterimol/L: 10.7151

Surface and Volume Properties
Accessible surface: 487.261	Positive charged surface: 206.024	Negative charged surface: 281.238	Volume: 269.75
Hydrophobic surface: 330.341	Hydrophilic surface: 156.92

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:

MMs00065322
ASINEX-ZINC00051778