SIAL-ZINC02384740

MMsINC code: MMs03914210

• Type: Neutral
• Formula: C₁₀H₂₄N₂
• SMILES: N(CCCCCCCCNC)C
• InChI: InChI=1/C10H24N2/c1-11-9-7-5-3-4-6-8-10-12-2/h11-12H,3-10H2,1-2H3

Potential Energy
Epot(MMFF94)=-1.57438 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 172.316 g/mol
• logS: -0.96194
• SlogP: 1.7658
• Reactive groups: 0

Topological Properties

• Globularity: 0.0230827
• Sterimol/B1: 2.58101
• Sterimol/B2: 2.66484
• Sterimol/B3: 2.68634
• Sterimol/B4: 2.98261
• Sterimol/L: 18.2713

Surface and Volume Properties

• Accessible surface: 476.123
• Positive charged surface: 438.873
• Negative charged surface: 37.2501
• Volume: 214.625
• Hydrophobic surface: 422.957
• Hydrophilic surface: 53.166

Pharmacophoric Properties

• Hydrogen bond donors: 2
• 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