ALFAAESAR-ZINC02517095

MMsINC code: MMs00023375

• Type: Neutral
• Formula: C₇H₁₅NO₂
• SMILES: O(C(=O)CN)CCCCC
• InChI: InChI=1/C7H15NO2/c1-2-3-4-5-10-7(9)6-8/h2-6,8H2,1H3

Potential Energy
Epot(MMFF94)=22.7128 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 145.202 g/mol
• logS: -1.24949
• SlogP: 0.6785
• Reactive groups: 1

Topological Properties

• Globularity: 0.0330457
• Sterimol/B1: 2.48751
• Sterimol/B2: 2.50716
• Sterimol/B3: 2.90256
• Sterimol/B4: 3.04309
• Sterimol/L: 14.3422

Surface and Volume Properties

• Accessible surface: 384.165
• Positive charged surface: 302.835
• Negative charged surface: 81.3297
• Volume: 156.75
• Hydrophobic surface: 250.6
• Hydrophilic surface: 133.565

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