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MMsINC code: MMs03954791

Type: Neutral
Formula: C₁₆H₁₅NO₄

SMILES:

O(CC(O)=O)c1ccc(NC(=O)Cc2ccccc2)cc1

InChI:

InChI=1/C16H15NO4/c18-15(10-12-4-2-1-3-5-12)17-13-6-8-14(9-7-13)21-11-16(19)20/h1-9H,10-11H2,(H,17,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.8177 kcal/mol

Physical Properties
Molecular Weight: 285.299 g/mol	logS: -3.46256	SlogP: 2.33117	Reactive groups: 0

Topological Properties
Globularity: 0.0480051	Sterimol/B1: 2.46984	Sterimol/B2: 3.54316	Sterimol/B3: 4.08414
Sterimol/B4: 5.5054	Sterimol/L: 18.3081

Surface and Volume Properties
Accessible surface: 547.977	Positive charged surface: 328.485	Negative charged surface: 219.493	Volume: 269.5
Hydrophobic surface: 398.85	Hydrophilic surface: 149.127

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

MMs03954792
VITASM-ZINC04673185