ACROSORGANICS-ZINC00388432

MMsINC code: MMs00007005

• Type: Ionized
• Formula: C₈H₇O₃-
• SMILES: O(C)c1ccccc1C(=O)[O-]
• InChI: InChI=1/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)/p-1

Potential Energy
Epot(MMFF94)=40.5365 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 151.141 g/mol
• logS: -1.66511
• SlogP: 0.0587
• Reactive groups: 0

Topological Properties

• Globularity: 0.0599158
• Sterimol/B1: 2.4044
• Sterimol/B2: 2.86774
• Sterimol/B3: 3.31783
• Sterimol/B4: 5.68338
• Sterimol/L: 9.922

Surface and Volume Properties

• Accessible surface: 318.43
• Positive charged surface: 179.377
• Negative charged surface: 139.053
• Volume: 141.125
• Hydrophobic surface: 227.943
• Hydrophilic surface: 90.487

Pharmacophoric Properties

• Hydrogen bond donors: 0
• 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