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MMsINC code: MMs02848268

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.1414 kcal/mol

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

Topological Properties
Globularity: 0.0905877	Sterimol/B1: 3.19966	Sterimol/B2: 3.59438	Sterimol/B3: 4.33486
Sterimol/B4: 5.32987	Sterimol/L: 15.9611

Surface and Volume Properties
Accessible surface: 516.014	Positive charged surface: 292.601	Negative charged surface: 223.413	Volume: 262.375
Hydrophobic surface: 403.227	Hydrophilic surface: 112.787

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

MMs02848269
PUBCHEM-ZINC02009399