ACROSORGANICS-ZINC03957811

MMsINC code: MMs00016428

• Type: Ionized
• Formula: C₂H₆O₄P-
• SMILES: P(OC)(OC)(=O)[O-]
• InChI: InChI=1/C2H7O4P/c1-5-7(3,4)6-2/h1-2H3,(H,3,4)/p-1

Potential Energy
Epot(MMFF94)=-21.8918 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 125.04 g/mol
• logS: 0.40772
• SlogP: -1.3226
• Reactive groups: 0

Topological Properties

• Globularity: 0.0942594
• Sterimol/B1: 2.3399
• Sterimol/B2: 3.05548
• Sterimol/B3: 3.12215
• Sterimol/B4: 3.13108
• Sterimol/L: 9.49814

Surface and Volume Properties

• Accessible surface: 269.6
• Positive charged surface: 181.295
• Negative charged surface: 88.3054
• Volume: 96.75
• Hydrophobic surface: 175.905
• Hydrophilic surface: 93.695

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 2
• 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