PUBCHEM-ZINC06579238

MMsINC code: MMs03806477

• Type: Neutral
• Formula: C₈H₁₂O₇P₂
• SMILES: P(O)(O)(=O)C(P(O)(O)=O)(O)Cc1ccccc1
• InChI: InChI=1/C8H12O7P2/c9-8(16(10,11)12,17(13,14)15)6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,10,11,12)(H2,13,14,15)

Potential Energy
Epot(MMFF94)=0.5543 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 282.125 g/mol
• logS: 0.00975
• SlogP: -1.90983
• Reactive groups: 0

Topological Properties

• Globularity: 0.310926
• Sterimol/B1: 3.41141
• Sterimol/B2: 3.5616
• Sterimol/B3: 3.91988
• Sterimol/B4: 5.54445
• Sterimol/L: 10.3593

Surface and Volume Properties

• Accessible surface: 404.256
• Positive charged surface: 216.679
• Negative charged surface: 187.577
• Volume: 210.75
• Hydrophobic surface: 173.357
• Hydrophilic surface: 230.899

Pharmacophoric Properties

• Hydrogen bond donors: 7
• Hydrogen bond acceptors: 7
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 0

Drug- and Lead-like Properties

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