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MMsINC code: MMs02637920

Type: Neutral
Formula: C₁₆H₁₃NO₅

SMILES:

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

InChI:

InChI=1/C16H13NO5/c1-22-16(21)10-6-8-11(9-7-10)17-14(18)12-4-2-3-5-13(12)15(19)20/h2-9H,1H3,(H,17,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.8783 kcal/mol

Physical Properties
Molecular Weight: 299.282 g/mol	logS: -3.706	SlogP: 2.4237	Reactive groups: 0

Topological Properties
Globularity: 0.0552558	Sterimol/B1: 2.52451	Sterimol/B2: 4.55778	Sterimol/B3: 4.65328
Sterimol/B4: 4.78568	Sterimol/L: 17.1865

Surface and Volume Properties
Accessible surface: 529.316	Positive charged surface: 329.791	Negative charged surface: 199.525	Volume: 270.625
Hydrophobic surface: 375.884	Hydrophilic surface: 153.432

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

MMs02637921
PUBCHEM-ZINC00190570