PUBCHEM-ZINC01850203

MMsINC code: MMs02825462

• Type: Neutral
• Formula: C₆H₁₅O₅P
• SMILES: P(OCCOCCCC)(O)(O)=O
• InChI: InChI=1/C6H15O5P/c1-2-3-4-10-5-6-11-12(7,8)9/h2-6H2,1H3,(H2,7,8,9)

Potential Energy
Epot(MMFF94)=-60.1597 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 198.155 g/mol
• logS: -0.36242
• SlogP: -0.1578
• Reactive groups: 0

Topological Properties

• Globularity: 0.0502232
• Sterimol/B1: 2.98791
• Sterimol/B2: 3.08637
• Sterimol/B3: 3.33168
• Sterimol/B4: 4.95922
• Sterimol/L: 14.3085

Surface and Volume Properties

• Accessible surface: 430.489
• Positive charged surface: 304.163
• Negative charged surface: 126.326
• Volume: 176.625
• Hydrophobic surface: 248.753
• Hydrophilic surface: 181.736

Pharmacophoric Properties

• Hydrogen bond donors: 3
• 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