PUBCHEM-ZINC06067408

MMsINC code: MMs03520356

• Type: Neutral
• Formula: C₇H₁₅O₉P
• SMILES: P(OC1(OC(CO)C(O)C(O)C1O)C)(O)(O)=O
• InChI: InChI=1/C7H15O9P/c1-7(16-17(12,13)14)6(11)5(10)4(9)3(2-8)15-7/h3-6,8-11H,2H2,1H3,(H2,12,13,14)/t3-,4-,5+,6-,7-/m1/s1

Potential Energy
Epot(MMFF94)=-2.68092 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 274.162 g/mol
• logS: 0.95993
• SlogP: -3.7845
• Reactive groups: 0

Topological Properties

• Globularity: 0.302774
• Sterimol/B1: 2.42508
• Sterimol/B2: 4.18664
• Sterimol/B3: 5.76513
• Sterimol/B4: 6.09651
• Sterimol/L: 10.3924

Surface and Volume Properties

• Accessible surface: 426.586
• Positive charged surface: 288.304
• Negative charged surface: 138.282
• Volume: 206
• Hydrophobic surface: 122.215
• Hydrophilic surface: 304.371

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