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MMsINC code: MMs03912366

Type: Neutral
Formula: C₁₆H₁₆N₂O₃

SMILES:

OC(=O)c1ccccc1NC(=O)Nc1ccc(cc1C)C

InChI:

InChI=1/C16H16N2O3/c1-10-7-8-13(11(2)9-10)17-16(21)18-14-6-4-3-5-12(14)15(19)20/h3-9H,1-2H3,(H,19,20)(H2,17,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.0054 kcal/mol

Physical Properties
Molecular Weight: 284.315 g/mol	logS: -3.85584	SlogP: 3.64564	Reactive groups: 0

Topological Properties
Globularity: 0.0516598	Sterimol/B1: 2.7123	Sterimol/B2: 3.39077	Sterimol/B3: 3.82614
Sterimol/B4: 5.97013	Sterimol/L: 15.6052

Surface and Volume Properties
Accessible surface: 530.606	Positive charged surface: 316.884	Negative charged surface: 213.722	Volume: 270
Hydrophobic surface: 405.783	Hydrophilic surface: 124.823

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	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

MMs03912367
SIAL-ZINC00397435