ENAMINE-ZINC04966297

MMsINC code: MMs01570573

• Type: Neutral
• Formula: C₆H₄Cl₂O₂S
• SMILES: Clc1ccc(Cl)cc1S(O)=O
• InChI: InChI=1/C6H4Cl2O2S/c7-4-1-2-5(8)6(3-4)11(9)10/h1-3H,(H,9,10)

Potential Energy
Epot(MMFF94)=30.5967 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 211.068 g/mol
• logS: -3.05301
• SlogP: 2.0083
• Reactive groups: 0

Topological Properties

• Globularity: 0.0452499
• Sterimol/B1: 2.36247
• Sterimol/B2: 3.1971
• Sterimol/B3: 4.72479
• Sterimol/B4: 5.26431
• Sterimol/L: 9.86194

Surface and Volume Properties

• Accessible surface: 344.74
• Positive charged surface: 119.307
• Negative charged surface: 225.433
• Volume: 152.75
• Hydrophobic surface: 244.143
• Hydrophilic surface: 100.597

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