DSC-ZINC02556803

MMsINC code: MMs01221722

• Type: Neutral
• Formula: C₃H₈BrO₃P
• SMILES: BrCCCP(O)(O)=O
• InChI: InChI=1/C3H8BrO3P/c4-2-1-3-8(5,6)7/h1-3H2,(H2,5,6,7)

Potential Energy
Epot(MMFF94)=-43.8769 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 202.972 g/mol
• logS: -0.21632
• SlogP: -0.1211
• Reactive groups: 1

Topological Properties

• Globularity: 0.153267
• Sterimol/B1: 3.05173
• Sterimol/B2: 3.21601
• Sterimol/B3: 3.28754
• Sterimol/B4: 3.35286
• Sterimol/L: 11.0536

Surface and Volume Properties

• Accessible surface: 331.302
• Positive charged surface: 151.789
• Negative charged surface: 179.513
• Volume: 132.75
• Hydrophobic surface: 99.2034
• Hydrophilic surface: 232.0986

Pharmacophoric Properties

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