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APOLLO-ZINC02563670

 MMsINC code: MMs00053954
Type: Neutral
Formula: C11H15O4P
SMILES:   P(OCC)(OCC)(=O)c1ccc(cc1)C=O
InChI:   InChI=1/C11H15O4P/c1-3-14-16(13,15-4-2)11-7-5-10(9-12)6-8-11/h5-9H,3-4H2,1-2H3

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Potential Energy
Epot(MMFF94)=31.9596 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.211 g/mol  logS: -2.09577  SlogP: 1.3203  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.063262  Sterimol/B1: 2.24473  Sterimol/B2: 3.10125  Sterimol/B3: 4.20005
  Sterimol/B4: 8.20591  Sterimol/L: 13.1077 
 
 Surface and Volume Properties
  Accessible surface: 480.841  Positive charged surface: 298.964  Negative charged surface: 181.877  Volume: 226.25
  Hydrophobic surface: 337.332  Hydrophilic surface: 143.509
 
 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.