DSC-ZINC04352613

MMsINC code: MMs01221830

• Type: Tautomer
• Formula: C₃H₈O₃P-
• SMILES: P(OC)(=O)([O-])CC
• InChI: InChI=1/C3H9O3P/c1-3-7(4,5)6-2/h3H2,1-2H3,(H,4,5)/p-1

Potential Energy
Epot(MMFF94)=-11.4084 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 123.068 g/mol
• logS: 0.33507
• SlogP: -0.8641
• Reactive groups: 1

Topological Properties

• Globularity: 0.111211
• Sterimol/B1: 2.87396
• Sterimol/B2: 2.9109
• Sterimol/B3: 3.1311
• Sterimol/B4: 3.13185
• Sterimol/L: 9.76348

Surface and Volume Properties

• Accessible surface: 287.216
• Positive charged surface: 185.875
• Negative charged surface: 101.342
• Volume: 104.5
• Hydrophobic surface: 188.679
• Hydrophilic surface: 98.537

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 1
• Acid groups: 2
• 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