ACROSORGANICS-ZINC00004726

MMsINC code: MMs00002726

• Type: Neutral
• Formula: C₆H₆ClNO₂S
• SMILES: Clc1ccc(S(=O)(=O)N)cc1
• InChI: InChI=1/C6H6ClNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)

Potential Energy
Epot(MMFF94)=-2.98732 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 191.638 g/mol
• logS: -2.34578
• SlogP: 0.9874
• Reactive groups: 0

Topological Properties

• Globularity: 0.101195
• Sterimol/B1: 2.42337
• Sterimol/B2: 2.82663
• Sterimol/B3: 3.14487
• Sterimol/B4: 4.8305
• Sterimol/L: 11.1464

Surface and Volume Properties

• Accessible surface: 339.338
• Positive charged surface: 131.583
• Negative charged surface: 207.756
• Volume: 147.875
• Hydrophobic surface: 208.1
• Hydrophilic surface: 131.238

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