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CHEMBRIDGE-ZINC02831382

 MMsINC code: MMs00722031
Type: Neutral
Formula: C13H19O4P
SMILES:   P(OC(C)C)(OC(C)C)(=O)C(=O)c1ccccc1
InChI:   InChI=1/C13H19O4P/c1-10(2)16-18(15,17-11(3)4)13(14)12-8-6-5-7-9-12/h5-11H,1-4H3

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Potential Energy
Epot(MMFF94)=50.2914 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.265 g/mol  logS: -3.07543  SlogP: 2.7997  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107751  Sterimol/B1: 2.18103  Sterimol/B2: 2.90734  Sterimol/B3: 4.76627
  Sterimol/B4: 6.94554  Sterimol/L: 13.8362 
 
 Surface and Volume Properties
  Accessible surface: 496.628  Positive charged surface: 289.616  Negative charged surface: 207.013  Volume: 262.125
  Hydrophobic surface: 355.4  Hydrophilic surface: 141.228
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.