PUBCHEM-ZINC02560593

MMsINC code: MMs02901098

• Type: Ionized
• Formula: C₁₀H₂₆N₂+2
• SMILES: [NH2+](CCCC)CC[NH2+]CCCC
• InChI: InChI=1/C10H24N2/c1-3-5-7-11-9-10-12-8-6-4-2/h11-12H,3-10H2,1-2H3/p+2

Potential Energy
Epot(MMFF94)=36.6158 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 174.332 g/mol
• logS: -1.16404
• SlogP: -0.2866
• Reactive groups: 0

Topological Properties

• Globularity: 0.0233164
• Sterimol/B1: 2.35662
• Sterimol/B2: 2.3804
• Sterimol/B3: 2.38522
• Sterimol/B4: 3.02272
• Sterimol/L: 18.5328

Surface and Volume Properties

• Accessible surface: 487.16
• Positive charged surface: 427.725
• Negative charged surface: 59.4354
• Volume: 220.75
• Hydrophobic surface: 376.512
• Hydrophilic surface: 110.648

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 0
• Acid groups: 0
• Basic groups: 2
• 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