NCID-ZINC01716807

MMsINC code: MMs02342362

• Type: Neutral
• Formula: C₁₀H₂₄N₂
• SMILES: N(NCCC(C)C)CCC(C)C
• InChI: InChI=1/C10H24N2/c1-9(2)5-7-11-12-8-6-10(3)4/h9-12H,5-8H2,1-4H3

Potential Energy
Epot(MMFF94)=23.6297 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 172.316 g/mol
• logS: -1.99204
• SlogP: 2.1728
• Reactive groups: 1

Topological Properties

• Globularity: 0.0530578
• Sterimol/B1: 2.15587
• Sterimol/B2: 2.32709
• Sterimol/B3: 3.8498
• Sterimol/B4: 4.17766
• Sterimol/L: 15.8506

Surface and Volume Properties

• Accessible surface: 461.478
• Positive charged surface: 362.025
• Negative charged surface: 99.4524
• Volume: 214.125
• Hydrophobic surface: 340.271
• Hydrophilic surface: 121.207

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