ACROSORGANICS-ZINC02022402

MMsINC code: MMs00012412

• Type: Neutral
• Formula: C₆HF₅S
• SMILES: Sc1c(F)c(F)c(F)c(F)c1F
• InChI: InChI=1/C6HF5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H

Potential Energy
Epot(MMFF94)=21.471 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 200.13 g/mol
• logS: -3.87776
• SlogP: 2.6708
• Reactive groups: 0

Topological Properties

• Globularity: 0.0277759
• Sterimol/B1: 2.11847
• Sterimol/B2: 2.64678
• Sterimol/B3: 3.8687
• Sterimol/B4: 3.87134
• Sterimol/L: 9.53623

Surface and Volume Properties

• Accessible surface: 301.055
• Positive charged surface: 91.6546
• Negative charged surface: 209.4
• Volume: 125.125
• Hydrophobic surface: 252.133
• Hydrophilic surface: 48.922

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 0
• 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