PUBCHEM-ZINC03869947

MMsINC code: MMs03079097

• Type: Neutral
• Formula: C₆H₁₄NO₈P
• SMILES: P(OC1OC(CO)C(O)C(O)C1N)(O)(O)=O
• InChI: InChI=1/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4+,5+,6-/m0/s1

Potential Energy
Epot(MMFF94)=-6.83336 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 259.151 g/mol
• logS: 1.56847
• SlogP: -4.2082
• Reactive groups: 0

Topological Properties

• Globularity: 0.210793
• Sterimol/B1: 3.16028
• Sterimol/B2: 3.27079
• Sterimol/B3: 4.04843
• Sterimol/B4: 5.87232
• Sterimol/L: 10.2869

Surface and Volume Properties

• Accessible surface: 414.789
• Positive charged surface: 281.191
• Negative charged surface: 133.598
• Volume: 195.625
• Hydrophobic surface: 107.25
• Hydrophilic surface: 307.539

Pharmacophoric Properties

• Hydrogen bond donors: 7
• Hydrogen bond acceptors: 9
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 5

Drug- and Lead-like Properties

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