ACROSORGANICS-ZINC03957811

MMsINC code: MMs00016427

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

Potential Energy
Epot(MMFF94)=-37.9573 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 126.048 g/mol
• logS: 0.47924
• SlogP: -0.6906
• Reactive groups: 0

Topological Properties

• Globularity: 0.0862112
• Sterimol/B1: 2.30974
• Sterimol/B2: 2.43566
• Sterimol/B3: 3.36202
• Sterimol/B4: 3.70872
• Sterimol/L: 9.68552

Surface and Volume Properties

• Accessible surface: 281.656
• Positive charged surface: 209.474
• Negative charged surface: 72.1818
• Volume: 98.5
• Hydrophobic surface: 177.889
• Hydrophilic surface: 103.767

Pharmacophoric Properties

• Hydrogen bond donors: 2
• Hydrogen bond acceptors: 4
• Acid groups: 0
• 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