PUBCHEM-ZINC03115754

MMsINC code: MMs02995839

• Type: Neutral
• Formula: C₄H₁₀NO₄P
• SMILES: P(O)(=O)(CCC(O)=O)CN
• InChI: InChI=1/C4H10NO4P/c5-3-10(8,9)2-1-4(6)7/h1-3,5H2,(H,6,7)(H,8,9)

Potential Energy
Epot(MMFF94)=17.6997 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 167.101 g/mol
• logS: 1.71374
• SlogP: -1.4225
• Reactive groups: 0

Topological Properties

• Globularity: 0.0921726
• Sterimol/B1: 3.08378
• Sterimol/B2: 3.15347
• Sterimol/B3: 3.28927
• Sterimol/B4: 3.61821
• Sterimol/L: 12.0863

Surface and Volume Properties

• Accessible surface: 340.211
• Positive charged surface: 221.114
• Negative charged surface: 119.097
• Volume: 138.125
• Hydrophobic surface: 106.709
• Hydrophilic surface: 233.502

Pharmacophoric Properties

• Hydrogen bond donors: 5
• Hydrogen bond acceptors: 5
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 1

Drug- and Lead-like Properties

• Lipinski's drug-like rule: 1
• Violations of Lipinski's rule: 0
• Oprea's lead like rule: 1