ACROSORGANICS-ZINC01764577

MMsINC code: MMs00011912

• Type: Ionized
• Formula: C₃H₂O₆-2
• SMILES: OC(O)(C(=O)[O-])C(=O)[O-]
• InChI: InChI=1/C3H4O6/c4-1(5)3(8,9)2(6)7/h8-9H,(H,4,5)(H,6,7)/p-2

Potential Energy
Epot(MMFF94)=61.6797 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 134.043 g/mol
• logS: 0.246
• SlogP: -4.8329
• Reactive groups: 0

Topological Properties

• Globularity: 0.468137
• Sterimol/B1: 2.64309
• Sterimol/B2: 2.73239
• Sterimol/B3: 3.52388
• Sterimol/B4: 3.90488
• Sterimol/L: 8.11574

Surface and Volume Properties

• Accessible surface: 247.052
• Positive charged surface: 68.0845
• Negative charged surface: 178.967
• Volume: 88.75
• Hydrophobic surface: 0
• Hydrophilic surface: 247.052

Pharmacophoric Properties

• Hydrogen bond donors: 2
• Hydrogen bond acceptors: 2
• 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