ACROSORGANICS-ZINC03873646

MMsINC code: MMs00016194

• Type: Neutral
• Formula: C₃H₈O₃S₃
• SMILES: S(O)(=O)(=O)CC(S)CS
• InChI: InChI=1/C3H8O3S3/c4-9(5,6)2-3(8)1-7/h3,7-8H,1-2H2,(H,4,5,6)/t3-/m1/s1

Potential Energy
Epot(MMFF94)=10.2508 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 188.292 g/mol
• logS: -1.58801
• SlogP: -0.4633
• Reactive groups: 1

Topological Properties

• Globularity: 0.125544
• Sterimol/B1: 2.63704
• Sterimol/B2: 2.70378
• Sterimol/B3: 3.59169
• Sterimol/B4: 4.44897
• Sterimol/L: 11.1068

Surface and Volume Properties

• Accessible surface: 331.067
• Positive charged surface: 158.971
• Negative charged surface: 172.096
• Volume: 138.5
• Hydrophobic surface: 130.618
• Hydrophilic surface: 200.449

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 3
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 1

Drug- and Lead-like Properties

• Lipinski's drug-like rule: 1
• Violations of Lipinski's rule: 0
• Oprea's lead like rule: 1