PUBCHEM-ZINC02015516

MMsINC code: MMs02851825

• Type: Neutral
• Formula: C₅H₁₃O₆P
• SMILES: P(OC(CCO)CCO)(O)(O)=O
• InChI: InChI=1/C5H13O6P/c6-3-1-5(2-4-7)11-12(8,9)10/h5-7H,1-4H2,(H2,8,9,10)

Potential Energy
Epot(MMFF94)=-61.9344 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 200.127 g/mol
• logS: 0.82596
• SlogP: -1.8411
• Reactive groups: 0

Topological Properties

• Globularity: 0.104065
• Sterimol/B1: 2.4487
• Sterimol/B2: 2.56534
• Sterimol/B3: 3.09802
• Sterimol/B4: 6.94289
• Sterimol/L: 11.5543

Surface and Volume Properties

• Accessible surface: 376.786
• Positive charged surface: 248.972
• Negative charged surface: 127.814
• Volume: 162.375
• Hydrophobic surface: 141.915
• Hydrophilic surface: 234.871

Pharmacophoric Properties

• Hydrogen bond donors: 5
• Hydrogen bond acceptors: 6
• 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