DSC-ZINC04352613

MMsINC code: MMs01221829

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

Potential Energy
Epot(MMFF94)=-17.3882 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 124.076 g/mol
• logS: 0.40659
• SlogP: -0.2321
• Reactive groups: 0

Topological Properties

• Globularity: 0.12896
• Sterimol/B1: 2.95508
• Sterimol/B2: 3.22375
• Sterimol/B3: 3.28653
• Sterimol/B4: 3.54367
• Sterimol/L: 9.94336

Surface and Volume Properties

• Accessible surface: 291.417
• Positive charged surface: 204.92
• Negative charged surface: 86.4962
• Volume: 109.5
• Hydrophobic surface: 185.605
• Hydrophilic surface: 105.812

Pharmacophoric Properties

• Hydrogen bond donors: 2
• Hydrogen bond acceptors: 3
• Acid groups: 0
• Basic groups: 0
• Chiral centers: 1

Drug- and Lead-like Properties

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