ACROSORGANICS-ZINC00001554

MMsINC code: MMs00002622

• Type: Ionized
• Formula: C₇H₅O₃-
• SMILES: Oc1ccccc1C(=O)[O-]
• InChI: InChI=1/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)/p-1

Potential Energy
Epot(MMFF94)=5.308 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 137.114 g/mol
• logS: -1.25278
• SlogP: -0.2443
• Reactive groups: 0

Topological Properties

• Globularity: 1.54742e-08
• Sterimol/B1: 2.09714
• Sterimol/B2: 2.09747
• Sterimol/B3: 2.85534
• Sterimol/B4: 4.88381
• Sterimol/L: 9.28532

Surface and Volume Properties

• Accessible surface: 286.785
• Positive charged surface: 126.638
• Negative charged surface: 160.147
• Volume: 119.75
• Hydrophobic surface: 172.2
• Hydrophilic surface: 114.585

Pharmacophoric Properties

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