IBS-ZINC04935588

MMsINC code: MMs01907918

• Type: Neutral
• Formula: C₂H₉O₈P₃
• SMILES: P(O)(=O)(CP(O)(O)=O)CP(O)(O)=O
• InChI: InChI=1/C2H9O8P3/c3-11(4,1-12(5,6)7)2-13(8,9)10/h1-2H2,(H,3,4)(H2,5,6,7)(H2,8,9,10)

Potential Energy
Epot(MMFF94)=-95.4051 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 254.008 g/mol
• logS: 2.9164
• SlogP: -3.6834
• Reactive groups: 0

Topological Properties

• Globularity: 0.111197
• Sterimol/B1: 2.33341
• Sterimol/B2: 2.83105
• Sterimol/B3: 3.6409
• Sterimol/B4: 4.08066
• Sterimol/L: 12.8179

Surface and Volume Properties

• Accessible surface: 387.954
• Positive charged surface: 199.301
• Negative charged surface: 188.654
• Volume: 165
• Hydrophobic surface: 74.4641
• Hydrophilic surface: 313.4899

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: 0
• Oprea's lead like rule: 1