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MMsINC code: MMs00375369

Type: Neutral
Formula: C₂₀H₁₃NO₄

SMILES:

O=C1N(C(C(O)=O)c2ccccc2)C(=O)c2c3c1cccc3ccc2

InChI:

InChI=1/C20H13NO4/c22-18-14-10-4-8-12-9-5-11-15(16(12)14)19(23)21(18)17(20(24)25)13-6-2-1-3-7-13/h1-11,17H,(H,24,25)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.1058 kcal/mol

Physical Properties
Molecular Weight: 331.327 g/mol	logS: -5.57635	SlogP: 3.3572	Reactive groups: 0

Topological Properties
Globularity: 0.184707	Sterimol/B1: 3.18292	Sterimol/B2: 4.0635	Sterimol/B3: 5.80038
Sterimol/B4: 6.35002	Sterimol/L: 13.9466

Surface and Volume Properties
Accessible surface: 514.069	Positive charged surface: 262.848	Negative charged surface: 242.141	Volume: 297.375
Hydrophobic surface: 400.065	Hydrophilic surface: 114.004

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs00375370
ASINEX-ZINC04832198