APOLLO-ZINC00155614

MMsINC code: MMs00044531

• Type: Ionized
• Formula: C₆H₅FNO₂S-
• SMILES: S(=O)([O-])(=[NH])c1ccccc1F
• InChI: InChI=1/C6H5FNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H-,8,9,10)/q-1

Potential Energy
Epot(MMFF94)=20.0159 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 174.175 g/mol
• logS: -1.93086
• SlogP: 0.7973
• Reactive groups: 0

Topological Properties

• Globularity: 0.073445
• Sterimol/B1: 3.13108
• Sterimol/B2: 3.31536
• Sterimol/B3: 3.59149
• Sterimol/B4: 3.98343
• Sterimol/L: 9.79033

Surface and Volume Properties

• Accessible surface: 315.129
• Positive charged surface: 110.741
• Negative charged surface: 204.388
• Volume: 132
• Hydrophobic surface: 208.906
• Hydrophilic surface: 106.223

Pharmacophoric Properties

• Hydrogen bond donors: 1
• Hydrogen bond acceptors: 0
• Acid groups: 3
• 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