ACROSORGANICS-ZINC03860269

MMsINC code: MMs00015326

• Type: Ionized
• Formula: C₂ClF₂O₂-
• SMILES: ClC(F)(F)C(=O)[O-]
• InChI: InChI=1/C2HClF2O2/c3-2(4,5)1(6)7/h(H,6,7)/p-1

Potential Energy
Epot(MMFF94)=50.0685 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 129.469 g/mol
• logS: -1.37141
• SlogP: -0.0122
• Reactive groups: 0

Topological Properties

• Globularity: 0.376568
• Sterimol/B1: 2.35371
• Sterimol/B2: 2.94817
• Sterimol/B3: 2.94941
• Sterimol/B4: 3.50184
• Sterimol/L: 6.71298

Surface and Volume Properties

• Accessible surface: 230.828
• Positive charged surface: 21.241
• Negative charged surface: 209.587
• Volume: 75.75
• Hydrophobic surface: 0
• Hydrophilic surface: 230.828

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