ASINEX-ZINC01781039

MMsINC code: MMs00257245

• Type: Neutral
• Formula: C₅H₁₀N₂O₃
• SMILES: OC(=O)CCCNC(=O)N
• InChI: InChI=1/C5H10N2O3/c6-5(10)7-3-1-2-4(8)9/h1-3H2,(H,8,9)(H3,6,7,10)

Potential Energy
Epot(MMFF94)=-33.6158 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 146.146 g/mol
• logS: 0.21015
• SlogP: -0.4805
• Reactive groups: 0

Topological Properties

• Globularity: 0.0296511
• Sterimol/B1: 2.37498
• Sterimol/B2: 2.37562
• Sterimol/B3: 2.96448
• Sterimol/B4: 3.60465
• Sterimol/L: 12.7188

Surface and Volume Properties

• Accessible surface: 333.773
• Positive charged surface: 234.096
• Negative charged surface: 99.6769
• Volume: 132.375
• Hydrophobic surface: 105.793
• Hydrophilic surface: 227.98

Pharmacophoric Properties

• Hydrogen bond donors: 4
• Hydrogen bond acceptors: 3
• 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