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MMsINC code: MMs01570454

Type: Ionized
Formula: C₁₃H₁₀ClN₂O₄S-

SMILES:

Clc1ccc(cc1)C(=O)Nc1cc(S(=O)([O-])=[NH])ccc1O

InChI:

InChI=1/C13H11ClN2O4S/c14-9-3-1-8(2-4-9)13(18)16-11-7-10(21(15,19)20)5-6-12(11)17/h1-7H,(H4,15,16,17,18,19,20)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.3863 kcal/mol

Physical Properties
Molecular Weight: 325.752 g/mol	logS: -3.97821	SlogP: 2.2695	Reactive groups: 0

Topological Properties
Globularity: 0.0345755	Sterimol/B1: 2.097	Sterimol/B2: 3.27305	Sterimol/B3: 4.17786
Sterimol/B4: 6.36337	Sterimol/L: 16.4982

Surface and Volume Properties
Accessible surface: 514.882	Positive charged surface: 203.616	Negative charged surface: 311.266	Volume: 262.625
Hydrophobic surface: 335.516	Hydrophilic surface: 179.366

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 2	Acid groups: 3	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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Parent related molecule:

MMs01570453
ENAMINE-ZINC04965812