ACROSORGANICS-ZINC00164668

MMsINC code: MMs00006241

• Type: Neutral
• Formula: C₆H₄FS-
• SMILES: [S-]c1ccc(F)cc1
• InChI: InChI=1/C6H5FS/c7-5-1-3-6(8)4-2-5/h1-4,8H/p-1

Potential Energy
Epot(MMFF94)=6.51787 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 127.162 g/mol
• logS: -2.83164
• SlogP: 1.7315
• Reactive groups: 0

Topological Properties

• Globularity: 1.6358e-08
• Sterimol/B1: 2.34777
• Sterimol/B2: 2.34823
• Sterimol/B3: 2.43108
• Sterimol/B4: 4.85341
• Sterimol/L: 9.75349

Surface and Volume Properties

• Accessible surface: 279.032
• Positive charged surface: 92.4797
• Negative charged surface: 186.553
• Volume: 114.75
• Hydrophobic surface: 205.806
• Hydrophilic surface: 73.226

Pharmacophoric Properties

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