ACROSORGANICS-ZINC00284503

MMsINC code: MMs00006632

• Type: Ionized
• Formula: C₇H₅O₂S-
• SMILES: Sc1ccccc1C(=O)[O-]
• InChI: InChI=1/C7H6O2S/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H,8,9)/p-1

Potential Energy
Epot(MMFF94)=22.3646 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 153.181 g/mol
• logS: -2.63271
• SlogP: 0.3388
• Reactive groups: 0

Topological Properties

• Globularity: 0.000815716
• Sterimol/B1: 2.11146
• Sterimol/B2: 2.25854
• Sterimol/B3: 2.966
• Sterimol/B4: 5.51525
• Sterimol/L: 9.43799

Surface and Volume Properties

• Accessible surface: 304.144
• Positive charged surface: 114.389
• Negative charged surface: 189.756
• Volume: 134
• Hydrophobic surface: 165.863
• Hydrophilic surface: 138.281

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 0
• 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