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MMsINC code: MMs03891672

Type: Neutral
Formula: C₁₆H₂₄N₂O₃

SMILES:

OC(=O)C(NC(=O)N(CCC)CCC)Cc1ccccc1

InChI:

InChI=1/C16H24N2O3/c1-3-10-18(11-4-2)16(21)17-14(15(19)20)12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H,17,21)(H,19,20)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.2205 kcal/mol

Physical Properties
Molecular Weight: 292.379 g/mol	logS: -2.38151	SlogP: 2.51387	Reactive groups: 0

Topological Properties
Globularity: 0.181064	Sterimol/B1: 3.04219	Sterimol/B2: 5.03151	Sterimol/B3: 5.79979
Sterimol/B4: 6.26568	Sterimol/L: 13.9862

Surface and Volume Properties
Accessible surface: 550.336	Positive charged surface: 353.076	Negative charged surface: 197.26	Volume: 302.625
Hydrophobic surface: 397.267	Hydrophilic surface: 153.069

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

MMs03891673
PUBCHEM-ZINC06890930