SIAL-ZINC02384740

MMsINC code: MMs03914211

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

Potential Energy
Epot(MMFF94)=5.54329 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 174.332 g/mol
• logS: -0.91316
• SlogP: -0.2866
• Reactive groups: 0

Topological Properties

• Globularity: 0.0231405
• Sterimol/B1: 2.35944
• Sterimol/B2: 2.38841
• Sterimol/B3: 2.38977
• Sterimol/B4: 2.81108
• Sterimol/L: 18.3884

Surface and Volume Properties

• Accessible surface: 489.812
• Positive charged surface: 468.06
• Negative charged surface: 21.7519
• Volume: 224.25
• Hydrophobic surface: 366.464
• Hydrophilic surface: 123.348

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