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MMsINC code: MMs03145897

Type: Ionized
Formula: C₁₅H₁₀N₂O₅-2

SMILES:

O=C(Nc1cccc(C(=O)[O-])c1C)c1cccnc1C(=O)[O-]

InChI:

InChI=1/C15H12N2O5/c1-8-9(14(19)20)4-2-6-11(8)17-13(18)10-5-3-7-16-12(10)15(21)22/h2-7H,1H3,(H,17,18)(H,19,20)(H,21,22)/p-2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.7439 kcal/mol

Physical Properties
Molecular Weight: 298.254 g/mol	logS: -2.86982	SlogP: -0.63068	Reactive groups: 0

Topological Properties
Globularity: 0.0689897	Sterimol/B1: 2.23298	Sterimol/B2: 3.43787	Sterimol/B3: 3.62333
Sterimol/B4: 6.59511	Sterimol/L: 14.9329

Surface and Volume Properties
Accessible surface: 497.19	Positive charged surface: 228.278	Negative charged surface: 268.912	Volume: 260.125
Hydrophobic surface: 290.222	Hydrophilic surface: 206.968

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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:

MMs03145896
PUBCHEM-ZINC04649245