NCID-ZINC04721124

MMsINC code: MMs02396909

• Type: Neutral
• Formula: C₄H₁₀O₄S₂
• SMILES: S(O)(=O)CCCCS(O)=O
• InChI: InChI=1/C4H10O4S2/c5-9(6)3-1-2-4-10(7)8/h1-4H2,(H,5,6)(H,7,8)

Potential Energy
Epot(MMFF94)=20.2199 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 186.252 g/mol
• logS: -0.33414
• SlogP: -0.9214
• Reactive groups: 0

Topological Properties

• Globularity: 0.0547697
• Sterimol/B1: 2.37503
• Sterimol/B2: 2.49481
• Sterimol/B3: 3.0126
• Sterimol/B4: 3.35794
• Sterimol/L: 13.3568

Surface and Volume Properties

• Accessible surface: 359.042
• Positive charged surface: 240.42
• Negative charged surface: 118.622
• Volume: 143.875
• Hydrophobic surface: 136.34
• Hydrophilic surface: 222.702

Pharmacophoric Properties

• Hydrogen bond donors: 2
• Hydrogen bond acceptors: 4
• 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