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CHEMBRIDGE-ZINC02811499

 MMsINC code: MMs00717191
Type: Neutral
Formula: C13H20NO4P
SMILES:   P(OCC)(OCC)(=O)C(N(C=O)C)c1ccccc1
InChI:   InChI=1/C13H20NO4P/c1-4-17-19(16,18-5-2)13(14(3)11-15)12-9-7-6-8-10-12/h6-11,13H,4-5H2,1-3H3/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=68.5459 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.28 g/mol  logS: -1.87729  SlogP: 2.0648  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159116  Sterimol/B1: 3.61418  Sterimol/B2: 3.80342  Sterimol/B3: 4.49783
  Sterimol/B4: 7.52983  Sterimol/L: 13.4817 
 
 Surface and Volume Properties
  Accessible surface: 522.056  Positive charged surface: 355.441  Negative charged surface: 166.615  Volume: 272.75
  Hydrophobic surface: 399.742  Hydrophilic surface: 122.314
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.