PUBCHEM-ZINC05758164

MMsINC code: MMs03372874

• Type: Neutral
• Formula: C₁₀H₂₃N
• SMILES: NCCCCCCCC(C)C
• InChI: InChI=1/C10H23N/c1-10(2)8-6-4-3-5-7-9-11/h10H,3-9,11H2,1-2H3

Potential Energy
Epot(MMFF94)=2.5297 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 157.301 g/mol
• logS: -3.41742
• SlogP: 2.9417
• Reactive groups: 0

Topological Properties

• Globularity: 0.0406405
• Sterimol/B1: 2.12399
• Sterimol/B2: 2.54333
• Sterimol/B3: 3.3637
• Sterimol/B4: 4.58042
• Sterimol/L: 15.6951

Surface and Volume Properties

• Accessible surface: 437.054
• Positive charged surface: 366.566
• Negative charged surface: 70.4875
• Volume: 200.125
• Hydrophobic surface: 330.064
• Hydrophilic surface: 106.99

Pharmacophoric Properties

• Hydrogen bond donors: 1
• Hydrogen bond acceptors: 1
• 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