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MMsINC code: MMs02267453

Type: Neutral
Formula: C₁₅H₁₃ClN₂O₅S

SMILES:

Clc1ccc(cc1)C(=O)Nc1ccc(S(=O)(=O)NCC(O)=O)cc1

InChI:

InChI=1/C15H13ClN2O5S/c16-11-3-1-10(2-4-11)15(21)18-12-5-7-13(8-6-12)24(22,23)17-9-14(19)20/h1-8,17H,9H2,(H,18,21)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.6078 kcal/mol

Physical Properties
Molecular Weight: 368.797 g/mol	logS: -3.92298	SlogP: 1.9552	Reactive groups: 0

Topological Properties
Globularity: 0.0390385	Sterimol/B1: 2.97504	Sterimol/B2: 3.68297	Sterimol/B3: 4.34076
Sterimol/B4: 5.29709	Sterimol/L: 18.9322

Surface and Volume Properties
Accessible surface: 580.81	Positive charged surface: 260.852	Negative charged surface: 319.958	Volume: 300.5
Hydrophobic surface: 353.133	Hydrophilic surface: 227.677

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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

MMs02267454
NCID-ZINC01618809