ASINEX-ZINC04064975

MMsINC code: MMs00299985

• Type: Ionized
• Formula: C₃H₇O₅S₃-
• SMILES: S(=O)(=O)(CCSS(=O)(=O)[O-])C
• InChI: InChI=1/C3H8O5S3/c1-10(4,5)3-2-9-11(6,7)8/h2-3H2,1H3,(H,6,7,8)/p-1

Potential Energy
Epot(MMFF94)=-8.96587 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 219.282 g/mol
• logS: -0.89758
• SlogP: -0.7756
• Reactive groups: 0

Topological Properties

• Globularity: 0.118714
• Sterimol/B1: 2.71626
• Sterimol/B2: 3.04565
• Sterimol/B3: 3.42504
• Sterimol/B4: 4.59995
• Sterimol/L: 11.5783

Surface and Volume Properties

• Accessible surface: 350.012
• Positive charged surface: 116.317
• Negative charged surface: 233.694
• Volume: 150.125
• Hydrophobic surface: 128.568
• Hydrophilic surface: 221.444

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 2
• 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