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MMsINC code: MMs02647843

Type: Ionized
Formula: C₁₉H₁₉N₂O₄-

SMILES:

O=C(Nc1ccc(cc1)C(=O)[O-])c1ccc(NC(=O)C(C)(C)C)cc1

InChI:

InChI=1/C19H20N2O4/c1-19(2,3)18(25)21-15-8-4-12(5-9-15)16(22)20-14-10-6-13(7-11-14)17(23)24/h4-11H,1-3H3,(H,20,22)(H,21,25)(H,23,24)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.0992 kcal/mol

Physical Properties
Molecular Weight: 339.371 g/mol	logS: -4.39948	SlogP: 2.287	Reactive groups: 0

Topological Properties
Globularity: 0.0232221	Sterimol/B1: 2.36581	Sterimol/B2: 2.95341	Sterimol/B3: 4.02822
Sterimol/B4: 5.99218	Sterimol/L: 20.32

Surface and Volume Properties
Accessible surface: 616.047	Positive charged surface: 331.136	Negative charged surface: 284.91	Volume: 328.75
Hydrophobic surface: 412.913	Hydrophilic surface: 203.134

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 2	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

search links for this molecule:

Parent related molecule:

MMs02647842
PUBCHEM-ZINC00264142