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MMsINC code: MMs00445885

Type: Neutral
Formula: C₁₆H₁₅NO₃

SMILES:

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

InChI:

InChI=1/C16H15NO3/c18-15(13-9-5-2-6-10-13)17-14(16(19)20)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(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)=63.9489 kcal/mol

Physical Properties
Molecular Weight: 269.3 g/mol	logS: -3.35622	SlogP: 2.11227	Reactive groups: 0

Topological Properties
Globularity: 0.146922	Sterimol/B1: 2.5092	Sterimol/B2: 3.28854	Sterimol/B3: 4.01744
Sterimol/B4: 9.20653	Sterimol/L: 12.9292

Surface and Volume Properties
Accessible surface: 501.87	Positive charged surface: 268.394	Negative charged surface: 233.476	Volume: 261.75
Hydrophobic surface: 386.57	Hydrophilic surface: 115.3

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

MMs00445886
AURORAFEINCHEMIE-ZINC00124014