PUBCHEM-ZINC05828562

MMsINC code: MMs03404009

• Type: Neutral
• Formula: C₅H₁₅NO₇P₂
• SMILES: P(O)(O)(=O)C(P(O)(O)=O)(O)CCCCN
• InChI: InChI=1/C5H15NO7P2/c6-4-2-1-3-5(7,14(8,9)10)15(11,12)13/h7H,1-4,6H2,(H2,8,9,10)(H2,11,12,13)

Potential Energy
Epot(MMFF94)=-36.9655 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 263.123 g/mol
• logS: 1.54245
• SlogP: -3.0235
• Reactive groups: 0

Topological Properties

• Globularity: 0.112536
• Sterimol/B1: 3.43644
• Sterimol/B2: 3.88605
• Sterimol/B3: 4.2057
• Sterimol/B4: 4.46945
• Sterimol/L: 12.7499

Surface and Volume Properties

• Accessible surface: 425.683
• Positive charged surface: 266.324
• Negative charged surface: 159.359
• Volume: 200.875
• Hydrophobic surface: 104.856
• Hydrophilic surface: 320.827

Pharmacophoric Properties

• Hydrogen bond donors: 8
• Hydrogen bond acceptors: 8
• 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: 1
• Oprea's lead like rule: 1