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MMsINC code: MMs00309496

Type: Neutral
Formula: C₁₅H₂₄N₂O

SMILES:

O(C)c1ccccc1CN1CCN(CC1)C(C)C

InChI:

InChI=1/C15H24N2O/c1-13(2)17-10-8-16(9-11-17)12-14-6-4-5-7-15(14)18-3/h4-7,13H,8-12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.1109 kcal/mol

Physical Properties
Molecular Weight: 248.37 g/mol	logS: -2.00786	SlogP: 2.4876	Reactive groups: 0

Topological Properties
Globularity: 0.101434	Sterimol/B1: 2.6537	Sterimol/B2: 2.88055	Sterimol/B3: 4.20201
Sterimol/B4: 6.15995	Sterimol/L: 14.3833

Surface and Volume Properties
Accessible surface: 498.828	Positive charged surface: 388.067	Negative charged surface: 110.761	Volume: 268.25
Hydrophobic surface: 450.034	Hydrophilic surface: 48.794

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

MMs00309497
ASINEX-ZINC04133898