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MMsINC code: MMs00823126

Type: Ionized
Formula: C₁₈H₁₂N₃O₅-

SMILES:

O=C\1N(c2ccccc2)C(=O)NC(=O)/C/1=C\Nc1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C18H13N3O5/c22-15-14(10-19-12-8-6-11(7-9-12)17(24)25)16(23)21(18(26)20-15)13-4-2-1-3-5-13/h1-10,19H,(H,24,25)(H,20,22,26)/p-1/b14-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.5996 kcal/mol

Physical Properties
Molecular Weight: 350.31 g/mol	logS: -4.34847	SlogP: 0.6289	Reactive groups: 0

Topological Properties
Globularity: 0.0104246	Sterimol/B1: 2.61247	Sterimol/B2: 2.70667	Sterimol/B3: 2.7314
Sterimol/B4: 8.06029	Sterimol/L: 18.2004

Surface and Volume Properties
Accessible surface: 570.389	Positive charged surface: 267.468	Negative charged surface: 302.921	Volume: 307.375
Hydrophobic surface: 340.466	Hydrophilic surface: 229.923

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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:

MMs00823125
CHEMBRIDGE-ZINC04991063