ACROSORGANICS-ZINC02539606

MMsINC code: MMs00014108

• Type: Neutral
• Formula: C₅H₁₂O₃S
• SMILES: S(O)(=O)(=O)CCCCC
• InChI: InChI=1/C5H12O3S/c1-2-3-4-5-9(6,7)8/h2-5H2,1H3,(H,6,7,8)

Potential Energy
Epot(MMFF94)=-8.23493 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 152.214 g/mol
• logS: -1.17051
• SlogP: 0.4987
• Reactive groups: 0

Topological Properties

• Globularity: 0.072159
• Sterimol/B1: 2.48854
• Sterimol/B2: 3.04457
• Sterimol/B3: 3.047
• Sterimol/B4: 3.04712
• Sterimol/L: 12.154

Surface and Volume Properties

• Accessible surface: 337.139
• Positive charged surface: 207.985
• Negative charged surface: 129.155
• Volume: 137.5
• Hydrophobic surface: 192.654
• Hydrophilic surface: 144.485

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