PUBCHEM-ZINC05178705

MMsINC code: MMs03220967

• Type: Neutral
• Formula: C₄H₁₁O₅P
• SMILES: P(OCCCCO)(O)(O)=O
• InChI: InChI=1/C4H11O5P/c5-3-1-2-4-9-10(6,7)8/h5H,1-4H2,(H2,6,7,8)

Potential Energy
Epot(MMFF94)=-67.0349 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 170.101 g/mol
• logS: 0.62342
• SlogP: -1.202
• Reactive groups: 0

Topological Properties

• Globularity: 0.0702011
• Sterimol/B1: 2.80458
• Sterimol/B2: 3.15914
• Sterimol/B3: 3.16348
• Sterimol/B4: 3.29316
• Sterimol/L: 12.9593

Surface and Volume Properties

• Accessible surface: 359.327
• Positive charged surface: 239.31
• Negative charged surface: 120.017
• Volume: 139
• Hydrophobic surface: 151.135
• Hydrophilic surface: 208.192

Pharmacophoric Properties

• Hydrogen bond donors: 4
• 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