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MMsINC code: MMs02125341

Type: Neutral
Formula: C₁₆H₂₀N₂O₂

SMILES:

O(C(=O)c1c2c([nH]c1)cccc2)CCN1CCCCC1

InChI:

InChI=1/C16H20N2O2/c19-16(20-11-10-18-8-4-1-5-9-18)14-12-17-15-7-3-2-6-13(14)15/h2-3,6-7,12,17H,1,4-5,8-11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.2521 kcal/mol

Physical Properties
Molecular Weight: 272.348 g/mol	logS: -2.70855	SlogP: 2.8106	Reactive groups: 0

Topological Properties
Globularity: 0.083185	Sterimol/B1: 3.24542	Sterimol/B2: 3.41872	Sterimol/B3: 4.66435
Sterimol/B4: 5.11645	Sterimol/L: 15.9818

Surface and Volume Properties
Accessible surface: 537.029	Positive charged surface: 373.472	Negative charged surface: 157.714	Volume: 273.875
Hydrophobic surface: 457.952	Hydrophilic surface: 79.077

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

MMs02125342
LOPAC-ZINC00014457