ACROSORGANICS-ZINC01530348

MMsINC code: MMs00008911

• Type: Ionized
• Formula: C₆H₈O₄-2
• SMILES: O=C([O-])CCCCC(=O)[O-]
• InChI: InChI=1/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)/p-2

Potential Energy
Epot(MMFF94)=12.5688 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 144.126 g/mol
• logS: -0.2705
• SlogP: -1.9534
• Reactive groups: 0

Topological Properties

• Globularity: 0.0614734
• Sterimol/B1: 2.36762
• Sterimol/B2: 2.36914
• Sterimol/B3: 2.90975
• Sterimol/B4: 3.73285
• Sterimol/L: 12.1146

Surface and Volume Properties

• Accessible surface: 321.616
• Positive charged surface: 167.853
• Negative charged surface: 153.762
• Volume: 131.375
• Hydrophobic surface: 125.724
• Hydrophilic surface: 195.892

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 0
• Acid groups: 4
• 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