NCID-ZINC01700249

MMsINC code: MMs02330014

• Type: Neutral
• Formula: C₆H₁₂N₂O₃
• SMILES: OC(=O)CCCCC(=O)NN
• InChI: InChI=1/C6H12N2O3/c7-8-5(9)3-1-2-4-6(10)11/h1-4,7H2,(H,8,9)(H,10,11)

Potential Energy
Epot(MMFF94)=26.4881 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 160.173 g/mol
• logS: -0.01225
• SlogP: -0.3787
• Reactive groups: 0

Topological Properties

• Globularity: 0.0294666
• Sterimol/B1: 2.41495
• Sterimol/B2: 2.48899
• Sterimol/B3: 2.78577
• Sterimol/B4: 3.58356
• Sterimol/L: 13.9904

Surface and Volume Properties

• Accessible surface: 362.061
• Positive charged surface: 252.64
• Negative charged surface: 109.421
• Volume: 151.125
• Hydrophobic surface: 131.32
• Hydrophilic surface: 230.741

Pharmacophoric Properties

• Hydrogen bond donors: 4
• Hydrogen bond acceptors: 4
• 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