ACROSORGANICS-ZINC01840995

MMsINC code: MMs00011968

• Type: Neutral
• Formula: C₆H₁₄O₃S
• SMILES: S(O)(=O)(=O)CCCCCC
• InChI: InChI=1/C6H14O3S/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3,(H,7,8,9)

Potential Energy
Epot(MMFF94)=-8.15593 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 166.241 g/mol
• logS: -1.68573
• SlogP: 0.8888
• Reactive groups: 0

Topological Properties

• Globularity: 0.0570565
• Sterimol/B1: 2.59629
• Sterimol/B2: 3.04663
• Sterimol/B3: 3.04702
• Sterimol/B4: 3.05065
• Sterimol/L: 13.4423

Surface and Volume Properties

• Accessible surface: 367.064
• Positive charged surface: 235.332
• Negative charged surface: 131.731
• Volume: 155.25
• Hydrophobic surface: 222.712
• Hydrophilic surface: 144.352

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 3
• 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