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MDPI-ZINC03159871

 MMsINC code: MMs02176458
Type: Neutral
Formula: C12H17O4P
SMILES:   P(OCC)(OCC)(=O)C(=O)c1ccc(cc1)C
InChI:   InChI=1/C12H17O4P/c1-4-15-17(14,16-5-2)12(13)11-8-6-10(3)7-9-11/h6-9H,4-5H2,1-3H3

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Potential Energy
Epot(MMFF94)=46.0278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.238 g/mol  logS: -2.89493  SlogP: 2.33112  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0526488  Sterimol/B1: 2.27738  Sterimol/B2: 2.53623  Sterimol/B3: 4.43653
  Sterimol/B4: 7.50158  Sterimol/L: 15.0725 
 
 Surface and Volume Properties
  Accessible surface: 500.161  Positive charged surface: 306.093  Negative charged surface: 194.068  Volume: 244.5
  Hydrophobic surface: 378.575  Hydrophilic surface: 121.586
 
 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.