ACROSORGANICS-ZINC01845728

MMsINC code: MMs00012017

• Type: Ionized
• Formula: C₈H₁₅O₃-
• SMILES: OCCCCCCCC(=O)[O-]
• InChI: InChI=1/C8H16O3/c9-7-5-3-1-2-4-6-8(10)11/h9H,1-7H2,(H,10,11)/p-1

Potential Energy
Epot(MMFF94)=4.25183 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 159.205 g/mol
• logS: -1.16196
• SlogP: 0.0692
• Reactive groups: 0

Topological Properties

• Globularity: 0.0420466
• Sterimol/B1: 2.44422
• Sterimol/B2: 2.54053
• Sterimol/B3: 3.00867
• Sterimol/B4: 3.06169
• Sterimol/L: 14.664

Surface and Volume Properties

• Accessible surface: 387.639
• Positive charged surface: 271.668
• Negative charged surface: 115.971
• Volume: 164.375
• Hydrophobic surface: 240.454
• Hydrophilic surface: 147.185

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