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MMsINC code: MMs00446755

Type: Ionized
Formula: C₁₃H₁₃N₂O₄-

SMILES:

O=C1NC(CC(=O)[O-])C(=O)NC1Cc1ccccc1

InChI:

InChI=1/C13H14N2O4/c16-11(17)7-10-13(19)14-9(12(18)15-10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,19)(H,15,18)(H,16,17)/p-1/t9-,10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.7156 kcal/mol

Physical Properties
Molecular Weight: 261.257 g/mol	logS: -2.0521	SlogP: -1.64773	Reactive groups: 0

Topological Properties
Globularity: 0.11305	Sterimol/B1: 3.42966	Sterimol/B2: 3.68795	Sterimol/B3: 4.10352
Sterimol/B4: 5.64208	Sterimol/L: 13.7144

Surface and Volume Properties
Accessible surface: 459.58	Positive charged surface: 235.529	Negative charged surface: 224.051	Volume: 237.375
Hydrophobic surface: 246.512	Hydrophilic surface: 213.068

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 2	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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Parent related molecule:

MMs00446754
AURORAFEINCHEMIE-ZINC00395626