CHEMBLOCK-ZINC01618739

MMsINC code: MMs00528482

• Type: Neutral
• Formula: C₄H₇O₅P
• SMILES: P(O)(O)(=O)C1(CC1)C(O)=O
• InChI: InChI=1/C4H7O5P/c5-3(6)4(1-2-4)10(7,8)9/h1-2H2,(H,5,6)(H2,7,8,9)

Potential Energy
Epot(MMFF94)=-31.8792 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 166.069 g/mol
• logS: 0.53076
• SlogP: -1.2889
• Reactive groups: 0

Topological Properties

• Globularity: 0.282531
• Sterimol/B1: 2.73482
• Sterimol/B2: 2.96015
• Sterimol/B3: 3.66289
• Sterimol/B4: 5.50712
• Sterimol/L: 8.41284

Surface and Volume Properties

• Accessible surface: 310.309
• Positive charged surface: 163.476
• Negative charged surface: 146.833
• Volume: 126
• Hydrophobic surface: 62.6408
• Hydrophilic surface: 247.6682

Pharmacophoric Properties

• Hydrogen bond donors: 5
• Hydrogen bond acceptors: 5
• 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