APOLLO-ZINC00155614

MMsINC code: MMs00044530

• Type: Neutral
• Formula: C₆H₆FNO₂S
• SMILES: S(=O)(=O)(N)c1ccccc1F
• InChI: InChI=1/C6H6FNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)

Potential Energy
Epot(MMFF94)=-10.5035 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 175.183 g/mol
• logS: -1.90647
• SlogP: 0.4731
• Reactive groups: 0

Topological Properties

• Globularity: 0.097002
• Sterimol/B1: 2.79941
• Sterimol/B2: 3.57418
• Sterimol/B3: 3.61289
• Sterimol/B4: 3.95548
• Sterimol/L: 9.96534

Surface and Volume Properties

• Accessible surface: 320.37
• Positive charged surface: 145.081
• Negative charged surface: 175.289
• Volume: 134.625
• Hydrophobic surface: 190.222
• Hydrophilic surface: 130.148

Pharmacophoric Properties

• Hydrogen bond donors: 1
• 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