PUBCHEM-ZINC05840285

MMsINC code: MMs03410402

• Type: Neutral
• Formula: C₇H₁₆O₇P₂
• SMILES: P(O)(O)(=O)C(P(O)(O)=O)(O)C1CCCCC1
• InChI: InChI=1/C7H16O7P2/c8-7(15(9,10)11,16(12,13)14)6-4-2-1-3-5-6/h6,8H,1-5H2,(H2,9,10,11)(H2,12,13,14)

Potential Energy
Epot(MMFF94)=-16.8856 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 274.146 g/mol
• logS: -0.33525
• SlogP: -1.5722
• Reactive groups: 0

Topological Properties

• Globularity: 0.297646
• Sterimol/B1: 3.40383
• Sterimol/B2: 4.1397
• Sterimol/B3: 4.3411
• Sterimol/B4: 4.53162
• Sterimol/L: 11.328

Surface and Volume Properties

• Accessible surface: 406.733
• Positive charged surface: 258.563
• Negative charged surface: 148.171
• Volume: 209.125
• Hydrophobic surface: 165.601
• Hydrophilic surface: 241.132

Pharmacophoric Properties

• Hydrogen bond donors: 7
• Hydrogen bond acceptors: 7
• 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