ACROSORGANICS-ZINC00164777

MMsINC code: MMs00006274

• Type: Ionized
• Formula: C₈H₇O₃-
• SMILES: Oc1ccccc1CC(=O)[O-]
• InChI: InChI=1/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)/p-1

Potential Energy
Epot(MMFF94)=6.97315 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 151.141 g/mol
• logS: -1.31425
• SlogP: -0.31543
• Reactive groups: 0

Topological Properties

• Globularity: 0.0598493
• Sterimol/B1: 2.79922
• Sterimol/B2: 2.83302
• Sterimol/B3: 3.09587
• Sterimol/B4: 4.95059
• Sterimol/L: 10.3036

Surface and Volume Properties

• Accessible surface: 312.995
• Positive charged surface: 148.182
• Negative charged surface: 164.813
• Volume: 136
• Hydrophobic surface: 205.969
• Hydrophilic surface: 107.026

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