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MMsINC code: MMs00505327

Type: Neutral
Formula: C₁₆H₁₅ClN₂O₅

SMILES:

Clc1ccc(NC(=O)Nc2cc(OC)c(OC)cc2C(O)=O)cc1

InChI:

InChI=1/C16H15ClN2O5/c1-23-13-7-11(15(20)21)12(8-14(13)24-2)19-16(22)18-10-5-3-9(17)4-6-10/h3-8H,1-2H3,(H,20,21)(H2,18,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.1755 kcal/mol

Physical Properties
Molecular Weight: 350.758 g/mol	logS: -4.0565	SlogP: 3.6994	Reactive groups: 0

Topological Properties
Globularity: 0.0499208	Sterimol/B1: 3.33154	Sterimol/B2: 3.73049	Sterimol/B3: 5.41685
Sterimol/B4: 6.34586	Sterimol/L: 17.7439

Surface and Volume Properties
Accessible surface: 582.63	Positive charged surface: 368.672	Negative charged surface: 213.957	Volume: 301.375
Hydrophobic surface: 430.45	Hydrophilic surface: 152.18

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

MMs00505328
CHEMBLOCK-ZINC00541894