MICROSOURCE-ZINC04658594

MMsINC code: MMs02189732

• Type: Neutral
• Formula: C₂H₃FO₂
• SMILES: FCC(O)=O
• InChI: InChI=1/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5)

Potential Energy
Epot(MMFF94)=5.87938 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 78.042 g/mol
• logS: 0.08993
• SlogP: 0.0405
• Reactive groups: 1

Topological Properties

• Globularity: 0.103033
• Sterimol/B1: 2.19955
• Sterimol/B2: 2.3748
• Sterimol/B3: 2.37531
• Sterimol/B4: 3.40116
• Sterimol/L: 6.99349

Surface and Volume Properties

• Accessible surface: 203.017
• Positive charged surface: 111.815
• Negative charged surface: 91.2015
• Volume: 59.625
• Hydrophobic surface: 42.769
• Hydrophilic surface: 160.248

Pharmacophoric Properties

• Hydrogen bond donors: 2
• Hydrogen bond acceptors: 2
• 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