ACROSORGANICS-ZINC00895281

MMsINC code: MMs00008159

• Type: Ionized
• Formula: C₃H₃O₂-
• SMILES: O=C([O-])C=C
• InChI: InChI=1/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)/p-1

Potential Energy
Epot(MMFF94)=5.41757 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 71.055 g/mol
• logS: -0.34306
• SlogP: -1.0777
• Reactive groups: 0

Topological Properties

• Globularity: 6.751e-08
• Sterimol/B1: 2.097
• Sterimol/B2: 2.09764
• Sterimol/B3: 3.12239
• Sterimol/B4: 3.22933
• Sterimol/L: 7.7502

Surface and Volume Properties

• Accessible surface: 213.241
• Positive charged surface: 83.7136
• Negative charged surface: 129.528
• Volume: 68
• Hydrophobic surface: 58.842
• Hydrophilic surface: 154.399

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