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MMsINC code: MMs00834985

Type: Ionized
Formula: C₁₄H₉NO₄-2

SMILES:

O=C([O-])c1ccccc1Nc1ccccc1C(=O)[O-]

InChI:

InChI=1/C14H11NO4/c16-13(17)9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.6604 kcal/mol

Physical Properties
Molecular Weight: 255.229 g/mol	logS: -3.4649	SlogP: 0.1572	Reactive groups: 0

Topological Properties
Globularity: 0.09751	Sterimol/B1: 2.99037	Sterimol/B2: 3.06028	Sterimol/B3: 3.99158
Sterimol/B4: 5.7273	Sterimol/L: 12.4629

Surface and Volume Properties
Accessible surface: 448.224	Positive charged surface: 201.493	Negative charged surface: 246.73	Volume: 230.25
Hydrophobic surface: 293.046	Hydrophilic surface: 155.178

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	Acid groups: 4	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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Parent related molecule:

MMs00834984
CHEMDIV-ZINC00154566