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CHEMBRIDGE-ZINC04948702

 MMsINC code: MMs00812876
Type: Neutral
Formula: C11H20NO6P
SMILES:   P12(OCCO1)(OCCO2)CN1CCCC1C(OC)=O
InChI:   InChI=1/C11H20NO6P/c1-14-11(13)10-3-2-4-12(10)9-19(15-5-6-16-19)17-7-8-18-19/h10H,2-9H2,1H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=292.581 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.256 g/mol  logS: -0.87084  SlogP: 0.8882  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.262813  Sterimol/B1: 2.188  Sterimol/B2: 2.7835  Sterimol/B3: 5.56641
  Sterimol/B4: 7.69144  Sterimol/L: 12.7394 
 
 Surface and Volume Properties
  Accessible surface: 483.26  Positive charged surface: 409.65  Negative charged surface: 73.6103  Volume: 254.875
  Hydrophobic surface: 425.512  Hydrophilic surface: 57.748
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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.