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PUBCHEM-ZINC06403967

 MMsINC code: MMs03708566
Type: Neutral
Formula: C11H17N2O6P
SMILES:   P(OCC)(OCC)(=O)\C=C\N1C=C(CO)C(=O)NC1=O
InChI:   InChI=1/C11H17N2O6P/c1-3-18-20(17,19-4-2)6-5-13-7-9(8-14)10(15)12-11(13)16/h5-7,14H,3-4,8H2,1-2H3,(H,12,15,16)/b6-5+

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Potential Energy
Epot(MMFF94)=8.4899 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.239 g/mol  logS: -0.82869  SlogP: 0.0815  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0468702  Sterimol/B1: 2.36009  Sterimol/B2: 2.49772  Sterimol/B3: 5.0361
  Sterimol/B4: 7.98585  Sterimol/L: 14.3349 
 
 Surface and Volume Properties
  Accessible surface: 548.284  Positive charged surface: 341.789  Negative charged surface: 206.496  Volume: 261.75
  Hydrophobic surface: 270.306  Hydrophilic surface: 277.978
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.