ALFAAESAR-ZINC02004049

MMsINC code: MMs00022319

• Type: Neutral
• Formula: C₃H₆OS
• SMILES: S(C(=O)C)C
• InChI: InChI=1/C3H6OS/c1-3(4)5-2/h1-2H3

Potential Energy
Epot(MMFF94)=2.32809 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 90.146 g/mol
• logS: -0.97709
• SlogP: 0.8959
• Reactive groups: 0

Topological Properties

• Globularity: 0.0709213
• Sterimol/B1: 2.37511
• Sterimol/B2: 2.51206
• Sterimol/B3: 3.13647
• Sterimol/B4: 3.21802
• Sterimol/L: 8.52105

Surface and Volume Properties

• Accessible surface: 249.271
• Positive charged surface: 131.3
• Negative charged surface: 117.971
• Volume: 87.25
• Hydrophobic surface: 169.107
• Hydrophilic surface: 80.164

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 1
• 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