ACROSORGANICS-ZINC04658557

MMsINC code: MMs00018427

• Type: Ionized
• Formula: C₂H₃O₃-
• SMILES: OCC(=O)[O-]
• InChI: InChI=1/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)/p-1

Potential Energy
Epot(MMFF94)=27.1565 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 75.043 g/mol
• logS: 0.35571
• SlogP: -2.2714
• Reactive groups: 0

Topological Properties

• Globularity: 0.209966
• Sterimol/B1: 2.08452
• Sterimol/B2: 2.92643
• Sterimol/B3: 2.9537
• Sterimol/B4: 2.95421
• Sterimol/L: 6.89293

Surface and Volume Properties

• Accessible surface: 205.899
• Positive charged surface: 106.833
• Negative charged surface: 99.0663
• Volume: 60.75
• Hydrophobic surface: 52.9728
• Hydrophilic surface: 152.9262

Pharmacophoric Properties

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