ACROSORGANICS-ZINC00119234

MMsINC code: MMs00004076

• Type: Tautomer
• Formula: C₆HF₄S-
• SMILES: [S-]c1c(F)c(F)cc(F)c1F
• InChI: InChI=1/C6H2F4S/c7-2-1-3(8)5(10)6(11)4(2)9/h1,11H/p-1

Potential Energy
Epot(MMFF94)=26.6379 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 181.132 g/mol
• logS: -3.71658
• SlogP: 2.1488
• Reactive groups: 0

Topological Properties

• Globularity: 4.81868e-08
• Sterimol/B1: 2.34769
• Sterimol/B2: 2.34831
• Sterimol/B3: 3.88826
• Sterimol/B4: 3.89
• Sterimol/L: 9.54406

Surface and Volume Properties

• Accessible surface: 295.457
• Positive charged surface: 70.6157
• Negative charged surface: 224.842
• Volume: 122.5
• Hydrophobic surface: 224.713
• Hydrophilic surface: 70.744

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