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MMsINC code: MMs03725121

Type: Ionized
Formula: C₁₃H₁₁N₂O₄-

SMILES:

O=C(C(=O)NC(C(=O)[O-])C)c1c2c([nH]c1)cccc2

InChI:

InChI=1/C13H12N2O4/c1-7(13(18)19)15-12(17)11(16)9-6-14-10-5-3-2-4-8(9)10/h2-7,14H,1H3,(H,15,17)(H,18,19)/p-1/t7-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.9989 kcal/mol

Physical Properties
Molecular Weight: 259.241 g/mol	logS: -2.73576	SlogP: -0.3948	Reactive groups: 0

Topological Properties
Globularity: 0.0715986	Sterimol/B1: 3.2418	Sterimol/B2: 3.61435	Sterimol/B3: 4.61635
Sterimol/B4: 4.89098	Sterimol/L: 14.6887

Surface and Volume Properties
Accessible surface: 471.039	Positive charged surface: 224.902	Negative charged surface: 240.99	Volume: 231.375
Hydrophobic surface: 252.497	Hydrophilic surface: 218.542

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 2	Basic groups: 0
Chiral centers: 1

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:

MMs03725120
PUBCHEM-ZINC06425619