NCID-ZINC01673626

MMsINC code: MMs02309467

• Type: Neutral
• Formula: C₄H₁₁O₄P
• SMILES: P(OCCCC)(O)(O)=O
• InChI: InChI=1/C4H11O4P/c1-2-3-4-8-9(5,6)7/h2-4H2,1H3,(H2,5,6,7)

Potential Energy
Epot(MMFF94)=-71.9636 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 154.102 g/mol
• logS: -0.21978
• SlogP: -0.1744
• Reactive groups: 0

Topological Properties

• Globularity: 0.0836335
• Sterimol/B1: 2.5638
• Sterimol/B2: 2.76124
• Sterimol/B3: 3.33273
• Sterimol/B4: 3.73868
• Sterimol/L: 12.005

Surface and Volume Properties

• Accessible surface: 342.155
• Positive charged surface: 220.443
• Negative charged surface: 121.712
• Volume: 132.75
• Hydrophobic surface: 164.657
• Hydrophilic surface: 177.498

Pharmacophoric Properties

• Hydrogen bond donors: 3
• 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