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MMsINC code: MMs02283266

Type: Neutral
Formula: C₁₆H₂₅NO

SMILES:

O(CCN(C)C)C1(CCCCC1)c1ccccc1

InChI:

InChI=1/C16H25NO/c1-17(2)13-14-18-16(11-7-4-8-12-16)15-9-5-3-6-10-15/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.6975 kcal/mol

Physical Properties
Molecular Weight: 247.382 g/mol	logS: -2.87011	SlogP: 3.7357	Reactive groups: 0

Topological Properties
Globularity: 0.187116	Sterimol/B1: 3.2648	Sterimol/B2: 3.99532	Sterimol/B3: 5.37846
Sterimol/B4: 6.17216	Sterimol/L: 11.6908

Surface and Volume Properties
Accessible surface: 484.786	Positive charged surface: 381.677	Negative charged surface: 103.109	Volume: 274.375
Hydrophobic surface: 483.719	Hydrophilic surface: 1.067

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

MMs02283267
NCID-ZINC01641285