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MMsINC code: MMs00465255

Type: Ionized
Formula: C₁₁H₁₀N₂O₅-2

SMILES:

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

InChI:

InChI=1/C11H12N2O5/c1-6(9(14)15)12-11(18)13-8-4-2-7(3-5-8)10(16)17/h2-6H,1H3,(H,14,15)(H,16,17)(H2,12,13,18)/p-2/t6-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.4496 kcal/mol

Physical Properties
Molecular Weight: 250.21 g/mol	logS: -2.24154	SlogP: -1.69	Reactive groups: 0

Topological Properties
Globularity: 0.0245247	Sterimol/B1: 2.39782	Sterimol/B2: 2.65922	Sterimol/B3: 3.5993
Sterimol/B4: 4.94044	Sterimol/L: 15.8828

Surface and Volume Properties
Accessible surface: 458.163	Positive charged surface: 215.911	Negative charged surface: 242.251	Volume: 215.25
Hydrophobic surface: 209.314	Hydrophilic surface: 248.849

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	Acid groups: 4	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:

MMs00465254
AURORAFEINCHEMIE-ZINC04064352