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MMsINC code: MMs00990148

Type: Neutral
Formula: C₁₁H₈N₂O₅

SMILES:

O=C1N(c2ccc(cc2)C(O)=O)C(=O)NC(=O)C1

InChI:

InChI=1/C11H8N2O5/c14-8-5-9(15)13(11(18)12-8)7-3-1-6(2-4-7)10(16)17/h1-4H,5H2,(H,16,17)(H,12,14,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.1577 kcal/mol

Physical Properties
Molecular Weight: 248.194 g/mol	logS: -2.09698	SlogP: 0.3577	Reactive groups: 0

Topological Properties
Globularity: 0.0999443	Sterimol/B1: 2.43698	Sterimol/B2: 3.92567	Sterimol/B3: 3.98199
Sterimol/B4: 4.89187	Sterimol/L: 14.3734

Surface and Volume Properties
Accessible surface: 426.082	Positive charged surface: 223.972	Negative charged surface: 202.11	Volume: 203.25
Hydrophobic surface: 175.344	Hydrophilic surface: 250.738

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 5	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

MMs00990149
CHEMDIV-ZINC05125627