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MMsINC code: MMs02686719

Type: Neutral
Formula: C₁₆H₁₅NO₄

SMILES:

O(CC(O)=O)c1ccc(NC(=O)c2ccccc2C)cc1

InChI:

InChI=1/C16H15NO4/c1-11-4-2-3-5-14(11)16(20)17-12-6-8-13(9-7-12)21-10-15(18)19/h2-9H,10H2,1H3,(H,17,20)(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.6095 kcal/mol

Physical Properties
Molecular Weight: 285.299 g/mol	logS: -3.87501	SlogP: 2.71072	Reactive groups: 0

Topological Properties
Globularity: 0.0179241	Sterimol/B1: 2.02579	Sterimol/B2: 2.19158	Sterimol/B3: 3.49482
Sterimol/B4: 6.53752	Sterimol/L: 18.4898

Surface and Volume Properties
Accessible surface: 527.177	Positive charged surface: 306.942	Negative charged surface: 220.235	Volume: 267.25
Hydrophobic surface: 389.497	Hydrophilic surface: 137.68

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

MMs02686720
PUBCHEM-ZINC00453274