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MMsINC code: MMs02162835

Type: Neutral
Formula: C₁₃H₂₀N₂O₂

SMILES:

O1CCN(CC1)CCOc1ccc(cc1)CN

InChI:

InChI=1/C13H20N2O2/c14-11-12-1-3-13(4-2-12)17-10-7-15-5-8-16-9-6-15/h1-4H,5-11,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.9232 kcal/mol

Physical Properties
Molecular Weight: 236.315 g/mol	logS: -1.28955	SlogP: 1.1227	Reactive groups: 0

Topological Properties
Globularity: 0.0824561	Sterimol/B1: 2.33525	Sterimol/B2: 2.81365	Sterimol/B3: 4.92013
Sterimol/B4: 5.06183	Sterimol/L: 15.8858

Surface and Volume Properties
Accessible surface: 493.404	Positive charged surface: 398.125	Negative charged surface: 95.2795	Volume: 243
Hydrophobic surface: 400.247	Hydrophilic surface: 93.157

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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

MMs02162836
MAYBRIDGE-ZINC04277392