NCID-ZINC03869603

MMsINC code: MMs02381211

• 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)=-5.61139 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: 0.0694414
• Sterimol/B1: 2.79514
• Sterimol/B2: 3.22507
• Sterimol/B3: 3.68575
• Sterimol/B4: 3.7198
• Sterimol/L: 14.6449

Surface and Volume Properties

• Accessible surface: 447.132
• Positive charged surface: 256.26
• Negative charged surface: 190.872
• Volume: 201.875
• Hydrophobic surface: 72.213
• Hydrophilic surface: 374.919

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