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MMsINC code: MMs03082133

Type: Ionized
Formula: C₂₁H₁₃N₂O₄-

SMILES:

O=C1c2c(cccc2Nc2ccccc2C(=O)[O-])C(=O)c2c1c(N)ccc2

InChI:

InChI=1/C21H14N2O4/c22-14-8-3-6-12-17(14)20(25)18-13(19(12)24)7-4-10-16(18)23-15-9-2-1-5-11(15)21(26)27/h1-10,23H,22H2,(H,26,27)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.7184 kcal/mol

Physical Properties
Molecular Weight: 357.345 g/mol	logS: -5.45605	SlogP: 2.1513	Reactive groups: 0

Topological Properties
Globularity: 0.0420732	Sterimol/B1: 2.74443	Sterimol/B2: 4.52335	Sterimol/B3: 4.64315
Sterimol/B4: 6.54161	Sterimol/L: 16.3272

Surface and Volume Properties
Accessible surface: 560.748	Positive charged surface: 300.704	Negative charged surface: 260.044	Volume: 320.25
Hydrophobic surface: 389.013	Hydrophilic surface: 171.735

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

MMs03082132
PUBCHEM-ZINC03873987