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MMsINC code: MMs00732904

Type: Neutral
Formula: C₁₅H₂₂N₂O

SMILES:

O=C(N(C)C)N1CCC(CC1)Cc1ccccc1

InChI:

InChI=1/C15H22N2O/c1-16(2)15(18)17-10-8-14(9-11-17)12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.2101 kcal/mol

Physical Properties
Molecular Weight: 246.354 g/mol	logS: -2.16388	SlogP: 2.62267	Reactive groups: 0

Topological Properties
Globularity: 0.0668787	Sterimol/B1: 3.0193	Sterimol/B2: 3.29072	Sterimol/B3: 3.67128
Sterimol/B4: 4.80831	Sterimol/L: 15.3865

Surface and Volume Properties
Accessible surface: 489.9	Positive charged surface: 375.442	Negative charged surface: 114.458	Volume: 261.625
Hydrophobic surface: 458.298	Hydrophilic surface: 31.602

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: no related molecules available.