ALFAAESAR-ZINC01662574

MMsINC code: MMs00021640

• Type: Ionized
• Formula: C₁₀H₂₅N₂+
• SMILES: [NH+](CCCC)(CCCC)CCN
• InChI: InChI=1/C10H24N2/c1-3-5-8-12(10-7-11)9-6-4-2/h3-11H2,1-2H3/p+1

Potential Energy
Epot(MMFF94)=19.2544 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 173.324 g/mol
• logS: -1.2438
• SlogP: 0.4302
• Reactive groups: 0

Topological Properties

• Globularity: 0.109115
• Sterimol/B1: 2.42794
• Sterimol/B2: 2.54417
• Sterimol/B3: 3.85894
• Sterimol/B4: 8.34461
• Sterimol/L: 13.1646

Surface and Volume Properties

• Accessible surface: 467.147
• Positive charged surface: 390.766
• Negative charged surface: 76.3808
• Volume: 217.25
• Hydrophobic surface: 341.975
• Hydrophilic surface: 125.172

Pharmacophoric Properties

• Hydrogen bond donors: 1
• Hydrogen bond acceptors: 1
• 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