ACROSORGANICS-ZINC00330150

MMsINC code: MMs00006670

• Type: Neutral
• Formula: C₆H₇NO₂S
• SMILES: S(=O)(=O)(N)c1ccccc1
• InChI: InChI=1/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)

Potential Energy
Epot(MMFF94)=-2.19044 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 157.193 g/mol
• logS: -1.61149
• SlogP: 0.334
• Reactive groups: 0

Topological Properties

• Globularity: 0.107208
• Sterimol/B1: 2.80386
• Sterimol/B2: 3.20802
• Sterimol/B3: 3.61749
• Sterimol/B4: 3.61766
• Sterimol/L: 10.0399

Surface and Volume Properties

• Accessible surface: 316.871
• Positive charged surface: 151.303
• Negative charged surface: 165.569
• Volume: 133.25
• Hydrophobic surface: 185.417
• Hydrophilic surface: 131.454

Pharmacophoric Properties

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