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MMsINC code: MMs00823125

Type: Neutral
Formula: C₁₈H₁₃N₃O₅

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)/b14-10-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.2425 kcal/mol

Physical Properties
Molecular Weight: 351.318 g/mol	logS: -4.08802	SlogP: 1.9636	Reactive groups: 0

Topological Properties
Globularity: 0.0284926	Sterimol/B1: 2.27326	Sterimol/B2: 3.38449	Sterimol/B3: 3.57789
Sterimol/B4: 7.86945	Sterimol/L: 17.8

Surface and Volume Properties
Accessible surface: 576.376	Positive charged surface: 293.112	Negative charged surface: 283.264	Volume: 303.125
Hydrophobic surface: 340.548	Hydrophilic surface: 235.828

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	Acid groups: 0	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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Ions/Tautomers related molecules

MMs00823126
CHEMBRIDGE-ZINC04991063