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MMsINC code: MMs03955121

Type: Neutral
Formula: C₁₉H₁₉ClN₂O₄

SMILES:

Clc1cc(NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c(cc1)C(O)=O

InChI:

InChI=1/C19H19ClN2O4/c1-19(2,3)18(26)21-13-7-4-11(5-8-13)16(23)22-15-10-12(20)6-9-14(15)17(24)25/h4-10H,1-3H3,(H,21,26)(H,22,23)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.0978 kcal/mol

Physical Properties
Molecular Weight: 374.824 g/mol	logS: -4.87332	SlogP: 4.2751	Reactive groups: 0

Topological Properties
Globularity: 0.0244183	Sterimol/B1: 3.11971	Sterimol/B2: 3.77373	Sterimol/B3: 3.92664
Sterimol/B4: 6.83188	Sterimol/L: 18.4838

Surface and Volume Properties
Accessible surface: 625.871	Positive charged surface: 334.962	Negative charged surface: 290.909	Volume: 338
Hydrophobic surface: 435.429	Hydrophilic surface: 190.442

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs03955122
VITASM-ZINC04675753