PUBCHEM-ZINC03869257

MMsINC code: MMs03078376

• Type: Neutral
• Formula: C₇H₁₃O₁₀P
• SMILES: P(OCC(O)C(O)C(O)CC(=O)C(O)=O)(O)(O)=O
• InChI: InChI=1/C7H13O10P/c8-3(1-4(9)7(12)13)6(11)5(10)2-17-18(14,15)16/h3,5-6,8,10-11H,1-2H2,(H,12,13)(H2,14,15,16)/t3-,5+,6+/m0/s1

Potential Energy
Epot(MMFF94)=-5.68767 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 288.145 g/mol
• logS: 1.22293
• SlogP: -3.848
• Reactive groups: 0

Topological Properties

• Globularity: 0.0538362
• Sterimol/B1: 2.99185
• Sterimol/B2: 3.08382
• Sterimol/B3: 3.52971
• Sterimol/B4: 3.78182
• Sterimol/L: 16.7741

Surface and Volume Properties

• Accessible surface: 466.603
• Positive charged surface: 262.344
• Negative charged surface: 204.259
• Volume: 212.875
• Hydrophobic surface: 94.2729
• Hydrophilic surface: 372.3301

Pharmacophoric Properties

• Hydrogen bond donors: 8
• Hydrogen bond acceptors: 10
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 3

Drug- and Lead-like Properties

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