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PUBCHEM-ZINC03122006

 MMsINC code: MMs02996667
Type: Neutral
Formula: C13H20NO4P
SMILES:   P(OC(C)C)(OC(C)C)(=O)NC(=O)c1ccccc1
InChI:   InChI=1/C13H20NO4P/c1-10(2)17-19(16,18-11(3)4)14-13(15)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,14,15,16)

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Potential Energy
Epot(MMFF94)=-5.51967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.28 g/mol  logS: -2.97261  SlogP: 2.3043  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137779  Sterimol/B1: 2.91223  Sterimol/B2: 3.74519  Sterimol/B3: 3.83255
  Sterimol/B4: 9.09352  Sterimol/L: 13.3479 
 
 Surface and Volume Properties
  Accessible surface: 527.98  Positive charged surface: 316.935  Negative charged surface: 211.045  Volume: 272.25
  Hydrophobic surface: 390.498  Hydrophilic surface: 137.482
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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
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Ions/Tautomers related molecules: no related molecules available.