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MMsINC code: MMs01077946

Type: Neutral
Formula: C₁₉H₁₉ClN₂O₄

SMILES:

Clc1cc(NC(=O)c2cc(NC(=O)C(C)(C)C)ccc2)c(cc1)C(O)=O

InChI:

InChI=1/C19H19ClN2O4/c1-19(2,3)18(26)21-13-6-4-5-11(9-13)16(23)22-15-10-12(20)7-8-14(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)=93.9772 kcal/mol

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

Topological Properties
Globularity: 0.0309141	Sterimol/B1: 3.06191	Sterimol/B2: 3.89985	Sterimol/B3: 4.22652
Sterimol/B4: 7.9414	Sterimol/L: 17.1471

Surface and Volume Properties
Accessible surface: 624.279	Positive charged surface: 332.073	Negative charged surface: 292.206	Volume: 339.625
Hydrophobic surface: 433.735	Hydrophilic surface: 190.544

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

MMs01077947
CHEMSTAR-ZINC01216882