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MMsINC code: MMs00988297

Type: Ionized
Formula: C₁₅H₁₀N₂O₅-2

SMILES:

O=C(NCc1ccc(cc1)C(=O)[O-])c1cccnc1C(=O)[O-]

InChI:

InChI=1/C15H12N2O5/c18-13(11-2-1-7-16-12(11)15(21)22)17-8-9-3-5-10(6-4-9)14(19)20/h1-7H,8H2,(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)=70.7884 kcal/mol

Physical Properties
Molecular Weight: 298.254 g/mol	logS: -2.65339	SlogP: -0.995	Reactive groups: 0

Topological Properties
Globularity: 0.107309	Sterimol/B1: 2.56676	Sterimol/B2: 3.70198	Sterimol/B3: 4.00777
Sterimol/B4: 6.71246	Sterimol/L: 14.928

Surface and Volume Properties
Accessible surface: 517.477	Positive charged surface: 244.685	Negative charged surface: 272.791	Volume: 262
Hydrophobic surface: 291.116	Hydrophilic surface: 226.361

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:

MMs00988296
CHEMDIV-ZINC05077575