NCID-ZINC04972850

MMsINC code: MMs02421622

• Type: Neutral
• Formula: C₁₀H₂₂N+
• SMILES: [NH+](C)(C)C1CCCCCCC1
• InChI: InChI=1/C10H21N/c1-11(2)10-8-6-4-3-5-7-9-10/h10H,3-9H2,1-2H3/p+1

Potential Energy
Epot(MMFF94)=32.4137 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 156.293 g/mol
• logS: -1.96562
• SlogP: 1.2438
• Reactive groups: 0

Topological Properties

• Globularity: 0.201655
• Sterimol/B1: 2.93909
• Sterimol/B2: 2.95491
• Sterimol/B3: 3.71165
• Sterimol/B4: 5.4365
• Sterimol/L: 10.229

Surface and Volume Properties

• Accessible surface: 371.668
• Positive charged surface: 335.57
• Negative charged surface: 36.0984
• Volume: 192.625
• Hydrophobic surface: 322.751
• Hydrophilic surface: 48.917

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 0
• Acid groups: 0
• Basic groups: 1
• 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