PUBCHEM-ZINC01532623

MMsINC code: MMs02813672

• Type: Neutral
• Formula: C₆H₁₃O₁₀P
• SMILES: P(OCC(O)C(O)C(O)C(O)C(O)=O)(O)(O)=O
• InChI: InChI=1/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1

Potential Energy
Epot(MMFF94)=-4.19451 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 276.134 g/mol
• logS: 1.63874
• SlogP: -4.4463
• Reactive groups: 0

Topological Properties

• Globularity: 0.0641669
• Sterimol/B1: 2.69101
• Sterimol/B2: 3.48155
• Sterimol/B3: 3.60022
• Sterimol/B4: 3.67869
• Sterimol/L: 14.6739

Surface and Volume Properties

• Accessible surface: 444.29
• Positive charged surface: 248.936
• Negative charged surface: 195.354
• Volume: 200.875
• Hydrophobic surface: 74.0313
• Hydrophilic surface: 370.2587

Pharmacophoric Properties

• Hydrogen bond donors: 9
• Hydrogen bond acceptors: 10
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 4

Drug- and Lead-like Properties

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