SIAL-ZINC03075444

MMsINC code: MMs03914904

• Type: Neutral
• Formula: C₃H₉O₅P
• SMILES: P(OCCOC)(O)(O)=O
• InChI: InChI=1/C3H9O5P/c1-7-2-3-8-9(4,5)6/h2-3H2,1H3,(H2,4,5,6)

Potential Energy
Epot(MMFF94)=-58.0566 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 156.074 g/mol
• logS: 0.68178
• SlogP: -1.3281
• Reactive groups: 0

Topological Properties

• Globularity: 0.0886673
• Sterimol/B1: 2.64874
• Sterimol/B2: 2.71595
• Sterimol/B3: 3.58318
• Sterimol/B4: 4.06507
• Sterimol/L: 10.6645

Surface and Volume Properties

• Accessible surface: 334.301
• Positive charged surface: 237.788
• Negative charged surface: 96.5135
• Volume: 124.125
• Hydrophobic surface: 171.81
• Hydrophilic surface: 162.491

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 5
• 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