PUBCHEM-ZINC01529801

MMsINC code: MMs02813066

• Type: Neutral
• Formula: C₃H₇O₅P
• SMILES: P1(OC(CO1)CO)(O)=O
• InChI: InChI=1/C3H7O5P/c4-1-3-2-7-9(5,6)8-3/h3-4H,1-2H2,(H,5,6)/t3-/m1/s1

Potential Energy
Epot(MMFF94)=-15.2145 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 154.058 g/mol
• logS: 0.53294
• SlogP: -1.5757
• Reactive groups: 0

Topological Properties

• Globularity: 0.150839
• Sterimol/B1: 2.11732
• Sterimol/B2: 2.6894
• Sterimol/B3: 3.66931
• Sterimol/B4: 4.46699
• Sterimol/L: 9.60611

Surface and Volume Properties

• Accessible surface: 297.991
• Positive charged surface: 183.58
• Negative charged surface: 114.41
• Volume: 112.875
• Hydrophobic surface: 111.42
• Hydrophilic surface: 186.571

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 5
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 2

Drug- and Lead-like Properties

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