ACROSORGANICS-ZINC04240615

MMsINC code: MMs00016785

• Type: Neutral
• Formula: C₆H₆O₂S
• SMILES: S(O)(=O)c1ccccc1
• InChI: InChI=1/C6H6O2S/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)

Potential Energy
Epot(MMFF94)=32.103 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 142.178 g/mol
• logS: -1.58443
• SlogP: 0.7015
• Reactive groups: 0

Topological Properties

• Globularity: 0.0455258
• Sterimol/B1: 2.36764
• Sterimol/B2: 3.17997
• Sterimol/B3: 3.50756
• Sterimol/B4: 4.20045
• Sterimol/L: 9.85386

Surface and Volume Properties

• Accessible surface: 300.797
• Positive charged surface: 159.648
• Negative charged surface: 141.149
• Volume: 123.625
• Hydrophobic surface: 193.224
• Hydrophilic surface: 107.573

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