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PUBCHEM-ZINC03161494

 MMsINC code: MMs03003516
Type: Neutral
Formula: C10H15O4P
SMILES:   P(OC)(OC)(=O)C(OC)c1ccccc1
InChI:   InChI=1/C10H15O4P/c1-12-10(15(11,13-2)14-3)9-7-5-4-6-8-9/h4-8,10H,1-3H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=69.9438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.2 g/mol  logS: -1.40265  SlogP: 1.8428  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137573  Sterimol/B1: 2.49888  Sterimol/B2: 3.05386  Sterimol/B3: 3.93547
  Sterimol/B4: 7.98718  Sterimol/L: 12.6525 
 
 Surface and Volume Properties
  Accessible surface: 435.053  Positive charged surface: 325.764  Negative charged surface: 109.289  Volume: 215.25
  Hydrophobic surface: 403.787  Hydrophilic surface: 31.266
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.