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MMsINC code: MMs00967542

Type: Neutral
Formula: C₂₀H₁₉ClN₂O₄

SMILES:

Clc1cc2c([nH]c(C(O)=O)c2CC(=O)N(C)c2ccccc2OCC)cc1

InChI:

InChI=1/C20H19ClN2O4/c1-3-27-17-7-5-4-6-16(17)23(2)18(24)11-14-13-10-12(21)8-9-15(13)22-19(14)20(25)26/h4-10,22H,3,11H2,1-2H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.8563 kcal/mol

Physical Properties
Molecular Weight: 386.835 g/mol	logS: -4.83445	SlogP: 4.12367	Reactive groups: 0

Topological Properties
Globularity: 0.124281	Sterimol/B1: 3.30149	Sterimol/B2: 3.49334	Sterimol/B3: 4.51871
Sterimol/B4: 8.77463	Sterimol/L: 14.8157

Surface and Volume Properties
Accessible surface: 621.925	Positive charged surface: 358.517	Negative charged surface: 260.249	Volume: 350.875
Hydrophobic surface: 485.72	Hydrophilic surface: 136.205

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs00967543
CHEMDIV-ZINC04920454