APOLLO-ZINC02386746

MMsINC code: MMs00052091

• Type: Neutral
• Formula: C₃H₉NO₂S
• SMILES: S(=O)(=O)(CCN)C
• InChI: InChI=1/C3H9NO2S/c1-7(5,6)3-2-4/h2-4H2,1H3

Potential Energy
Epot(MMFF94)=1.37198 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 123.176 g/mol
• logS: 0.60693
• SlogP: -1.0103
• Reactive groups: 0

Topological Properties

• Globularity: 0.115219
• Sterimol/B1: 2.25484
• Sterimol/B2: 2.74679
• Sterimol/B3: 3.28782
• Sterimol/B4: 3.85719
• Sterimol/L: 9.85475

Surface and Volume Properties

• Accessible surface: 285.509
• Positive charged surface: 178.974
• Negative charged surface: 106.535
• Volume: 107.375
• Hydrophobic surface: 151.071
• Hydrophilic surface: 134.438

Pharmacophoric Properties

• Hydrogen bond donors: 1
• 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