NCID-ZINC01559411

MMsINC code: MMs02222190

• Type: Neutral
• Formula: C₄H₉O₄P
• SMILES: P1(OCCCCO1)(O)=O
• InChI: InChI=1/C4H9O4P/c5-9(6)7-3-1-2-4-8-9/h1-4H2,(H,5,6)

Potential Energy
Epot(MMFF94)=-13.1069 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 152.086 g/mol
• logS: -0.07314
• SlogP: -0.1564
• Reactive groups: 0

Topological Properties

• Globularity: 0.234384
• Sterimol/B1: 2.6954
• Sterimol/B2: 3.39829
• Sterimol/B3: 3.46165
• Sterimol/B4: 4.64612
• Sterimol/L: 9.07643

Surface and Volume Properties

• Accessible surface: 292.552
• Positive charged surface: 197.415
• Negative charged surface: 95.1374
• Volume: 120.75
• Hydrophobic surface: 177.39
• Hydrophilic surface: 115.162

Pharmacophoric Properties

• Hydrogen bond donors: 2
• Hydrogen bond acceptors: 4
• 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