ACROSORGANICS-ZINC05224164

MMsINC code: MMs00018727

• Type: Ionized
• Formula: C₂H₃O₂-
• SMILES: O=C([O-])C
• InChI: InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1

Potential Energy
Epot(MMFF94)=1.05941 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 59.044 g/mol
• logS: 0.14581
• SlogP: -1.2438
• Reactive groups: 0

Topological Properties

• Globularity: 0.191101
• Sterimol/B1: 1.93878
• Sterimol/B2: 2.37102
• Sterimol/B3: 2.38016
• Sterimol/B4: 3.96901
• Sterimol/L: 5.8338

Surface and Volume Properties

• Accessible surface: 189.755
• Positive charged surface: 88.7629
• Negative charged surface: 100.992
• Volume: 54.75
• Hydrophobic surface: 63.6501
• Hydrophilic surface: 126.1049

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 0
• 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