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MMsINC code: MMs02842664

Type: Neutral
Formula: C₁₆H₂₄N₂O

SMILES:

O=C(NC(N(C)C)C1CCCCC1)c1ccccc1

InChI:

InChI=1/C16H24N2O/c1-18(2)15(13-9-5-3-6-10-13)17-16(19)14-11-7-4-8-12-14/h4,7-8,11-13,15H,3,5-6,9-10H2,1-2H3,(H,17,19)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.8205 kcal/mol

Physical Properties
Molecular Weight: 260.381 g/mol	logS: -3.484	SlogP: 2.8844	Reactive groups: 0

Topological Properties
Globularity: 0.135243	Sterimol/B1: 2.51599	Sterimol/B2: 3.09185	Sterimol/B3: 4.63264
Sterimol/B4: 7.95122	Sterimol/L: 14.5717

Surface and Volume Properties
Accessible surface: 513.657	Positive charged surface: 370.771	Negative charged surface: 142.886	Volume: 279.125
Hydrophobic surface: 491.95	Hydrophilic surface: 21.707

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.