ASINEX-ZINC02484656

MMsINC code: MMs00272963

• Type: Neutral
• Formula: C₆H₁₀O₅S
• SMILES: S(=O)(CCC(O)=O)CCC(O)=O
• InChI: InChI=1/C6H10O5S/c7-5(8)1-3-12(11)4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)

Potential Energy
Epot(MMFF94)=-10.7473 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 194.207 g/mol
• logS: 0.39329
• SlogP: -0.3155
• Reactive groups: 0

Topological Properties

• Globularity: 0.0311326
• Sterimol/B1: 2.46987
• Sterimol/B2: 2.74259
• Sterimol/B3: 3.01471
• Sterimol/B4: 3.84807
• Sterimol/L: 14.3524

Surface and Volume Properties

• Accessible surface: 381.24
• Positive charged surface: 240.434
• Negative charged surface: 140.807
• Volume: 158.25
• Hydrophobic surface: 154.221
• Hydrophilic surface: 227.019

Pharmacophoric Properties

• Hydrogen bond donors: 4
• Hydrogen bond acceptors: 5
• 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