ASINEX-ZINC01732841

MMsINC code: MMs00255953

• Type: Neutral
• Formula: C₈H₁₁NO₄
• SMILES: O=C1N(CCCC(O)=O)C(=O)CC1
• InChI: InChI=1/C8H11NO4/c10-6-3-4-7(11)9(6)5-1-2-8(12)13/h1-5H2,(H,12,13)

Potential Energy
Epot(MMFF94)=-16.2172 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 185.179 g/mol
• logS: -0.03664
• SlogP: 0.0002
• Reactive groups: 0

Topological Properties

• Globularity: 0.104085
• Sterimol/B1: 3.08219
• Sterimol/B2: 3.22637
• Sterimol/B3: 3.54633
• Sterimol/B4: 4.76811
• Sterimol/L: 12.3501

Surface and Volume Properties

• Accessible surface: 375.845
• Positive charged surface: 236.805
• Negative charged surface: 139.04
• Volume: 165.75
• Hydrophobic surface: 196.674
• Hydrophilic surface: 179.171

Pharmacophoric Properties

• Hydrogen bond donors: 2
• 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