ASINEX-ZINC04356378

MMsINC code: MMs00327122

• Type: Neutral
• Formula: C₂H₂F₂O₅S
• SMILES: S(O)(=O)(=O)C(F)(F)C(O)=O
• InChI: InChI=1/C2H2F2O5S/c3-2(4,1(5)6)10(7,8)9/h(H,5,6)(H,7,8,9)

Potential Energy
Epot(MMFF94)=33.6909 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 176.095 g/mol
• logS: -0.36623
• SlogP: -0.5942
• Reactive groups: 0

Topological Properties

• Globularity: 0.12574
• Sterimol/B1: 2.94865
• Sterimol/B2: 3.04293
• Sterimol/B3: 3.05022
• Sterimol/B4: 3.17887
• Sterimol/L: 9.33506

Surface and Volume Properties

• Accessible surface: 273.989
• Positive charged surface: 78.3412
• Negative charged surface: 195.647
• Volume: 96
• Hydrophobic surface: 0
• Hydrophilic surface: 273.989

Pharmacophoric Properties

• Hydrogen bond donors: 5
• Hydrogen bond acceptors: 5
• Acid groups: 0
• 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