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MMsINC code: MMs00768303

Type: Neutral
Formula: C₁₆H₂₄N₂O₃

SMILES:

O(CC(O)CNC1CCCC1)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C16H24N2O3/c1-12(19)18-14-6-8-16(9-7-14)21-11-15(20)10-17-13-4-2-3-5-13/h6-9,13,15,17,20H,2-5,10-11H2,1H3,(H,18,19)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.4953 kcal/mol

Physical Properties
Molecular Weight: 292.379 g/mol	logS: -2.16503	SlogP: 1.9169	Reactive groups: 0

Topological Properties
Globularity: 0.0265777	Sterimol/B1: 2.8683	Sterimol/B2: 3.03217	Sterimol/B3: 3.47388
Sterimol/B4: 4.89321	Sterimol/L: 20.1925

Surface and Volume Properties
Accessible surface: 586.014	Positive charged surface: 417.317	Negative charged surface: 168.697	Volume: 298.25
Hydrophobic surface: 474.783	Hydrophilic surface: 111.231

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

MMs00768304
CHEMBRIDGE-ZINC04320503