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MMsINC code: MMs02848270

Type: Neutral
Formula: C₁₆H₁₅NO₃

SMILES:

OC(=O)C(NC(=O)Cc1ccccc1)c1ccccc1

InChI:

InChI=1/C16H15NO3/c18-14(11-12-7-3-1-4-8-12)17-15(16(19)20)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,17,18)(H,19,20)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.9973 kcal/mol

Physical Properties
Molecular Weight: 269.3 g/mol	logS: -3.35622	SlogP: 2.26667	Reactive groups: 0

Topological Properties
Globularity: 0.090618	Sterimol/B1: 3.20047	Sterimol/B2: 3.59446	Sterimol/B3: 4.33694
Sterimol/B4: 5.32796	Sterimol/L: 15.9607

Surface and Volume Properties
Accessible surface: 513.538	Positive charged surface: 288.52	Negative charged surface: 225.018	Volume: 262
Hydrophobic surface: 404.14	Hydrophilic surface: 109.398

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

MMs02848271
PUBCHEM-ZINC02009401