ACROSORGANICS-ZINC00156865

MMsINC code: MMs00005497

• Type: Ionized
• Formula: C₇H₄ClO₂-
• SMILES: Clc1ccc(cc1)C(=O)[O-]
• InChI: InChI=1/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)/p-1

Potential Energy
Epot(MMFF94)=24.3391 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 155.56 g/mol
• logS: -2.34902
• SlogP: 0.7035
• Reactive groups: 0

Topological Properties

• Globularity: 2.81039e-08
• Sterimol/B1: 2.09718
• Sterimol/B2: 2.09758
• Sterimol/B3: 2.43287
• Sterimol/B4: 4.8472
• Sterimol/L: 10.4751

Surface and Volume Properties

• Accessible surface: 308.611
• Positive charged surface: 99.1831
• Negative charged surface: 209.428
• Volume: 131.75
• Hydrophobic surface: 219.455
• Hydrophilic surface: 89.156

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