NCID-ZINC04991390

MMsINC code: MMs02425210

• Type: Ionized
• Formula: C₆H₁₀NO₃-
• SMILES: O=C([O-])C1N(O)CCCC1
• InChI: InChI=1/C6H11NO3/c8-6(9)5-3-1-2-4-7(5)10/h5,10H,1-4H2,(H,8,9)/p-1/t5-/m0/s1

Potential Energy
Epot(MMFF94)=25.6515 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 144.15 g/mol
• logS: -0.17131
• SlogP: -1.02
• Reactive groups: 0

Topological Properties

• Globularity: 0.155025
• Sterimol/B1: 2.57724
• Sterimol/B2: 2.81585
• Sterimol/B3: 3.15521
• Sterimol/B4: 4.84508
• Sterimol/L: 9.288

Surface and Volume Properties

• Accessible surface: 304.646
• Positive charged surface: 196.759
• Negative charged surface: 107.887
• Volume: 130.75
• Hydrophobic surface: 185.731
• Hydrophilic surface: 118.915

Pharmacophoric Properties

• Hydrogen bond donors: 1
• Hydrogen bond acceptors: 2
• Acid groups: 2
• 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