ASINEX-ZINC02565670

MMsINC code: MMs00274925

• Type: Ionized
• Formula: C₄H₉N₂O₄S-
• SMILES: S(=O)(=O)(N(C)C)NCC(=O)[O-]
• InChI: InChI=1/C4H10N2O4S/c1-6(2)11(9,10)5-3-4(7)8/h5H,3H2,1-2H3,(H,7,8)/p-1

Potential Energy
Epot(MMFF94)=-28.2374 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 181.192 g/mol
• logS: 0.57184
• SlogP: -2.8677
• Reactive groups: 0

Topological Properties

• Globularity: 0.206586
• Sterimol/B1: 2.367
• Sterimol/B2: 3.49207
• Sterimol/B3: 4.01076
• Sterimol/B4: 4.79802
• Sterimol/L: 10.3857

Surface and Volume Properties

• Accessible surface: 331.142
• Positive charged surface: 193.818
• Negative charged surface: 137.324
• Volume: 144.875
• Hydrophobic surface: 155.99
• Hydrophilic surface: 175.152

Pharmacophoric Properties

• Hydrogen bond donors: 1
• Hydrogen bond acceptors: 2
• Acid groups: 2
• 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