PUBCHEM-ZINC03870997

MMsINC code: MMs03080110

• Type: Neutral
• Formula: C₄H₁₂NO₃P
• SMILES: P(O)(O)(=O)CCCCN
• InChI: InChI=1/C4H12NO3P/c5-3-1-2-4-9(6,7)8/h1-5H2,(H2,6,7,8)

Potential Energy
Epot(MMFF94)=-47.6427 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 153.118 g/mol
• logS: 0.98408
• SlogP: -1.1672
• Reactive groups: 0

Topological Properties

• Globularity: 0.0860793
• Sterimol/B1: 2.57477
• Sterimol/B2: 2.75962
• Sterimol/B3: 3.68897
• Sterimol/B4: 3.92475
• Sterimol/L: 11.975

Surface and Volume Properties

• Accessible surface: 342.823
• Positive charged surface: 238.535
• Negative charged surface: 104.288
• Volume: 136.875
• Hydrophobic surface: 137.273
• Hydrophilic surface: 205.55

Pharmacophoric Properties

• Hydrogen bond donors: 4
• 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