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MMsINC code: MMs00138466

Type: Neutral
Formula: C₁₉H₂₁NO₄

SMILES:

O(C)c1ccc(NC(=O)CC(C(C)c2ccccc2)C(O)=O)cc1

InChI:

InChI=1/C19H21NO4/c1-13(14-6-4-3-5-7-14)17(19(22)23)12-18(21)20-15-8-10-16(24-2)11-9-15/h3-11,13,17H,12H2,1-2H3,(H,20,21)(H,22,23)/t13-,17+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.4043 kcal/mol

Physical Properties
Molecular Weight: 327.38 g/mol	logS: -3.61618	SlogP: 3.5283	Reactive groups: 0

Topological Properties
Globularity: 0.0581544	Sterimol/B1: 2.2015	Sterimol/B2: 2.4152	Sterimol/B3: 4.83655
Sterimol/B4: 5.95894	Sterimol/L: 18.7506

Surface and Volume Properties
Accessible surface: 589.587	Positive charged surface: 394.316	Negative charged surface: 195.271	Volume: 319.75
Hydrophobic surface: 465.331	Hydrophilic surface: 124.256

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs00138467
ASINEX-ZINC00535120