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MMsINC code: MMs03196445

Type: Neutral
Formula: C₁₆H₁₅NO₄

SMILES:

Oc1cc(C(O)=O)c(NC(=O)c2cc(C)c(cc2)C)cc1

InChI:

InChI=1/C16H15NO4/c1-9-3-4-11(7-10(9)2)15(19)17-14-6-5-12(18)8-13(14)16(20)21/h3-8,18H,1-2H3,(H,17,19)(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.073 kcal/mol

Physical Properties
Molecular Weight: 285.299 g/mol	logS: -3.91016	SlogP: 2.95954	Reactive groups: 0

Topological Properties
Globularity: 0.0204481	Sterimol/B1: 2.47698	Sterimol/B2: 3.04834	Sterimol/B3: 4.26792
Sterimol/B4: 5.4062	Sterimol/L: 15.6625

Surface and Volume Properties
Accessible surface: 516.706	Positive charged surface: 299.387	Negative charged surface: 217.318	Volume: 266.75
Hydrophobic surface: 350.78	Hydrophilic surface: 165.926

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs03196446
PUBCHEM-ZINC05065583