ACROSORGANICS-ZINC04658554

MMsINC code: MMs00018423

• Type: Ionized
• Formula: C₂HO₃-
• SMILES: O=C([O-])C=O
• InChI: InChI=1/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)/p-1

Potential Energy
Epot(MMFF94)=27.8248 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 73.027 g/mol
• logS: 0.12062
• SlogP: -2.0648
• Reactive groups: 1

Topological Properties

• Globularity: 1.9017e-08
• Sterimol/B1: 1.992
• Sterimol/B2: 1.99226
• Sterimol/B3: 2.86813
• Sterimol/B4: 3.03176
• Sterimol/L: 6.27884

Surface and Volume Properties

• Accessible surface: 194.514
• Positive charged surface: 80.5325
• Negative charged surface: 113.982
• Volume: 55.25
• Hydrophobic surface: 21.6456
• Hydrophilic surface: 172.8684

Pharmacophoric Properties

• Hydrogen bond donors: 0
• 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