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NCID-ZINC01731276

 MMsINC code: MMs02354191
Type: Neutral
Formula: C8H20NO3P
SMILES:   P(OCC)(OCC)(=O)NCCCC
InChI:   InChI=1/C8H20NO3P/c1-4-7-8-9-13(10,11-5-2)12-6-3/h4-8H2,1-3H3,(H,9,10)

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Potential Energy
Epot(MMFF94)=-35.9612 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.226 g/mol  logS: -1.00729  SlogP: 1.487  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122373  Sterimol/B1: 2.58313  Sterimol/B2: 2.78915  Sterimol/B3: 3.77849
  Sterimol/B4: 7.61519  Sterimol/L: 12.822 
 
 Surface and Volume Properties
  Accessible surface: 461.774  Positive charged surface: 335.878  Negative charged surface: 125.896  Volume: 210.375
  Hydrophobic surface: 330.262  Hydrophilic surface: 131.512
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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
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Ions/Tautomers related molecules: no related molecules available.