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MMsINC code: MMs00560793

Type: Neutral
Formula: C₁₉H₂₀ClNO₄

SMILES:

Clc1ccc(cc1)C(=O)NC(CC(O)=O)c1ccc(OC(C)C)cc1

InChI:

InChI=1/C19H20ClNO4/c1-12(2)25-16-9-5-13(6-10-16)17(11-18(22)23)21-19(24)14-3-7-15(20)8-4-14/h3-10,12,17H,11H2,1-2H3,(H,21,24)(H,22,23)/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.024 kcal/mol

Physical Properties
Molecular Weight: 361.825 g/mol	logS: -4.61576	SlogP: 4.1685	Reactive groups: 0

Topological Properties
Globularity: 0.068639	Sterimol/B1: 2.87974	Sterimol/B2: 3.79069	Sterimol/B3: 4.26416
Sterimol/B4: 8.86832	Sterimol/L: 17.2209

Surface and Volume Properties
Accessible surface: 625.643	Positive charged surface: 331.623	Negative charged surface: 294.02	Volume: 333.875
Hydrophobic surface: 463.594	Hydrophilic surface: 162.049

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00560794
CHEMBLOCK-ZINC04601055