ACROSORGANICS-ZINC01666660

MMsINC code: MMs00010422

• Type: Ionized
• Formula: C₄H₉O₃S-
• SMILES: S(=O)(=O)([O-])CCCC
• InChI: InChI=1/C4H10O3S/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H,5,6,7)/p-1

Potential Energy
Epot(MMFF94)=5.36815 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 137.179 g/mol
• logS: -0.72681
• SlogP: 0.3317
• Reactive groups: 0

Topological Properties

• Globularity: 0.120783
• Sterimol/B1: 2.64404
• Sterimol/B2: 3.01683
• Sterimol/B3: 3.04356
• Sterimol/B4: 3.04365
• Sterimol/L: 10.5006

Surface and Volume Properties

• Accessible surface: 302.544
• Positive charged surface: 156.948
• Negative charged surface: 145.596
• Volume: 115.5
• Hydrophobic surface: 163.314
• Hydrophilic surface: 139.23

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 0
• Acid groups: 3
• 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