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MMsINC code: MMs00717107

Type: Neutral
Formula: C₁₄H₂₀N₂O₂

SMILES:

O=[N+]([O-])c1cc(ccc1)CN1CCCCCCC1

InChI:

InChI=1/C14H20N2O2/c17-16(18)14-8-6-7-13(11-14)12-15-9-4-2-1-3-5-10-15/h6-8,11H,1-5,9-10,12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.3395 kcal/mol

Physical Properties
Molecular Weight: 248.326 g/mol	logS: -3.5177	SlogP: 3.6273	Reactive groups: 0

Topological Properties
Globularity: 0.247661	Sterimol/B1: 2.75202	Sterimol/B2: 3.34095	Sterimol/B3: 4.75462
Sterimol/B4: 6.09634	Sterimol/L: 12.2877

Surface and Volume Properties
Accessible surface: 461.346	Positive charged surface: 286.995	Negative charged surface: 174.351	Volume: 248.625
Hydrophobic surface: 371.795	Hydrophilic surface: 89.551

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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

MMs00717108
CHEMBRIDGE-ZINC02811111