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MMsINC code: MMs03162525

Type: Neutral
Formula: C₁₆H₂₂N₂O₂

SMILES:

O=C(NC1CCCCC1C)C(=O)NCc1ccccc1

InChI:

InChI=1/C16H22N2O2/c1-12-7-5-6-10-14(12)18-16(20)15(19)17-11-13-8-3-2-4-9-13/h2-4,8-9,12,14H,5-7,10-11H2,1H3,(H,17,19)(H,18,20)/t12-,14+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.0496 kcal/mol

Physical Properties
Molecular Weight: 274.364 g/mol	logS: -3.37649	SlogP: 2.2641	Reactive groups: 0

Topological Properties
Globularity: 0.0601079	Sterimol/B1: 2.00785	Sterimol/B2: 3.25431	Sterimol/B3: 3.76408
Sterimol/B4: 6.84918	Sterimol/L: 16.3666

Surface and Volume Properties
Accessible surface: 547.552	Positive charged surface: 359.575	Negative charged surface: 187.978	Volume: 282.875
Hydrophobic surface: 441.221	Hydrophilic surface: 106.331

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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: no related molecules available.