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MMsINC code: MMs00602741

Type: Neutral
Formula: C₁₅H₁₃NO₄

SMILES:

O(C)c1ccc(NC(=O)c2ccccc2C(O)=O)cc1

InChI:

InChI=1/C15H13NO4/c1-20-11-8-6-10(7-9-11)16-14(17)12-4-2-3-5-13(12)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.2872 kcal/mol

Physical Properties
Molecular Weight: 271.272 g/mol	logS: -3.37465	SlogP: 2.6457	Reactive groups: 0

Topological Properties
Globularity: 0.0714573	Sterimol/B1: 2.42047	Sterimol/B2: 4.67263	Sterimol/B3: 4.70963
Sterimol/B4: 4.82091	Sterimol/L: 16.1852

Surface and Volume Properties
Accessible surface: 494.718	Positive charged surface: 309.638	Negative charged surface: 185.08	Volume: 249.25
Hydrophobic surface: 373.004	Hydrophilic surface: 121.714

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	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

MMs00602742
CHEMBRIDGE-ZINC00294280