PUBCHEM-ZINC03869233

MMsINC code: MMs03078343

• Type: Ionized
• Formula: C₃H₃O₁₀P₂-5
• SMILES: P(OC(C(=O)[O-])COP(=O)([O-])[O-])(=O)([O-])[O-]
• InChI: InChI=1/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/p-5/t2-/m0/s1

Potential Energy
Epot(MMFF94)=83.0007 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 260.995 g/mol
• logS: 0.69701
• SlogP: -7.3449
• Reactive groups: 0

Topological Properties

• Globularity: 0.145417
• Sterimol/B1: 2.34002
• Sterimol/B2: 3.66469
• Sterimol/B3: 3.98866
• Sterimol/B4: 4.70408
• Sterimol/L: 11.1859

Surface and Volume Properties

• Accessible surface: 379.202
• Positive charged surface: 66.2041
• Negative charged surface: 312.998
• Volume: 156
• Hydrophobic surface: 34.0741
• Hydrophilic surface: 345.1279

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 2
• Acid groups: 8
• Basic groups: 0
• Chiral centers: 1

Drug- and Lead-like Properties

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