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PUBCHEM-ZINC06003599

 MMsINC code: MMs03484813
Type: Neutral
Formula: C7H14NO4P
SMILES:   [PH](O)(=O)CN1CCCC1C(OC)=O
InChI:   InChI=1/C7H14NO4P/c1-12-7(9)6-3-2-4-8(6)5-13(10)11/h6,13H,2-5H2,1H3,(H,10,11)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=45.6079 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 207.166 g/mol  logS: -0.18691  SlogP: -1.0219  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.113004  Sterimol/B1: 2.65092  Sterimol/B2: 2.80925  Sterimol/B3: 3.16328
  Sterimol/B4: 6.66924  Sterimol/L: 11.7918 
 
 Surface and Volume Properties
  Accessible surface: 399.304  Positive charged surface: 281.94  Negative charged surface: 117.365  Volume: 183.875
  Hydrophobic surface: 278.551  Hydrophilic surface: 120.753
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.