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MMsINC code: MMs02660793

Type: Neutral
Formula: C₁₆H₁₅NO₄

SMILES:

O(C)c1ccc(cc1)C(=O)NC(C(O)=O)c1ccccc1

InChI:

InChI=1/C16H15NO4/c1-21-13-9-7-12(8-10-13)15(18)17-14(16(19)20)11-5-3-2-4-6-11/h2-10,14H,1H3,(H,17,18)(H,19,20)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.9155 kcal/mol

Physical Properties
Molecular Weight: 285.299 g/mol	logS: -3.34513	SlogP: 2.3464	Reactive groups: 0

Topological Properties
Globularity: 0.0610677	Sterimol/B1: 3.0645	Sterimol/B2: 3.46906	Sterimol/B3: 3.65631
Sterimol/B4: 6.00974	Sterimol/L: 15.6985

Surface and Volume Properties
Accessible surface: 528.517	Positive charged surface: 309.458	Negative charged surface: 219.059	Volume: 270.75
Hydrophobic surface: 403.701	Hydrophilic surface: 124.816

Pharmacophoric Properties
Hydrogen bond donors: 3	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

MMs02660794
PUBCHEM-ZINC00348057