PUBCHEM-ZINC04095578

MMsINC code: MMs03089436

• Type: Neutral
• Formula: C₆H₁₁O₁₀P
• SMILES: P(OC1OC(C(O)=O)C(O)C(O)C1O)(O)(O)=O
• InChI: InChI=1/C6H11O10P/c7-1-2(8)4(5(10)11)15-6(3(1)9)16-17(12,13)14/h1-4,6-9H,(H,10,11)(H2,12,13,14)/t1-,2-,3+,4-,6+/m0/s1

Potential Energy
Epot(MMFF94)=-21.0082 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 274.118 g/mol
• logS: 1.26399
• SlogP: -4.0823
• Reactive groups: 0

Topological Properties

• Globularity: 0.188527
• Sterimol/B1: 2.85085
• Sterimol/B2: 3.27138
• Sterimol/B3: 4.00313
• Sterimol/B4: 5.91827
• Sterimol/L: 10.5672

Surface and Volume Properties

• Accessible surface: 416.736
• Positive charged surface: 237.916
• Negative charged surface: 178.82
• Volume: 190.75
• Hydrophobic surface: 63.8241
• Hydrophilic surface: 352.9119

Pharmacophoric Properties

• Hydrogen bond donors: 8
• Hydrogen bond acceptors: 10
• 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