ASINEX-ZINC02573216

MMsINC code: MMs00275140

• Type: Neutral
• Formula: C₁₀H₁₉NO₂
• SMILES: O(C(=O)CCCN)C1CCCCC1
• InChI: InChI=1/C10H19NO2/c11-8-4-7-10(12)13-9-5-2-1-3-6-9/h9H,1-8,11H2

Potential Energy
Epot(MMFF94)=5.96076 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 185.267 g/mol
• logS: -1.2449
• SlogP: 1.6012
• Reactive groups: 1

Topological Properties

• Globularity: 0.0545784
• Sterimol/B1: 3.00045
• Sterimol/B2: 3.20183
• Sterimol/B3: 3.52481
• Sterimol/B4: 4.06856
• Sterimol/L: 14.7695

Surface and Volume Properties

• Accessible surface: 432.117
• Positive charged surface: 343.602
• Negative charged surface: 88.5149
• Volume: 198.375
• Hydrophobic surface: 332.748
• Hydrophilic surface: 99.369

Pharmacophoric Properties

• Hydrogen bond donors: 1
• 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