ASINEX-ZINC04356378

MMsINC code: MMs00327123

• Type: Ionized
• Formula: C₂F₂O₅S-2
• 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)/p-2

Potential Energy
Epot(MMFF94)=83.9337 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 174.079 g/mol
• logS: -0.6982
• SlogP: -1.7058
• Reactive groups: 0

Topological Properties

• Globularity: 0.392102
• Sterimol/B1: 2.65469
• Sterimol/B2: 3.03711
• Sterimol/B3: 3.03785
• Sterimol/B4: 3.25527
• Sterimol/L: 7.91555

Surface and Volume Properties

• Accessible surface: 260.294
• Positive charged surface: 22.5897
• Negative charged surface: 237.704
• Volume: 90.875
• Hydrophobic surface: 0
• Hydrophilic surface: 260.294

Pharmacophoric Properties

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