OAKWOOD-ZINC04290677

MMsINC code: MMs02551274

• Type: Neutral
• Formula: C₈H₂₀N₂
• SMILES: N(C(CC)C)CCNCC
• InChI: InChI=1/C8H20N2/c1-4-8(3)10-7-6-9-5-2/h8-10H,4-7H2,1-3H3/t8-/m1/s1

Potential Energy
Epot(MMFF94)=2.111 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 144.262 g/mol
• logS: -0.30782
• SlogP: 0.984
• Reactive groups: 0

Topological Properties

• Globularity: 0.0666786
• Sterimol/B1: 2.0648
• Sterimol/B2: 2.66776
• Sterimol/B3: 3.09099
• Sterimol/B4: 5.83964
• Sterimol/L: 13.2697

Surface and Volume Properties

• Accessible surface: 405.921
• Positive charged surface: 329.746
• Negative charged surface: 76.1745
• Volume: 180
• Hydrophobic surface: 309.916
• Hydrophilic surface: 96.005

Pharmacophoric Properties

• Hydrogen bond donors: 2
• Hydrogen bond acceptors: 2
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 1

Drug- and Lead-like Properties

• Lipinski's drug-like rule: 1
• Violations of Lipinski's rule: 0
• Oprea's lead like rule: 1