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NIH-ZINC00288993

 MMsINC code: MMs02521136
Type: Neutral
Formula: C11H17O2P
SMILES:   P(=O)(C(O)(C)C)(CC)c1ccccc1
InChI:   InChI=1/C11H17O2P/c1-4-14(13,11(2,3)12)10-8-6-5-7-9-10/h5-9,12H,4H2,1-3H3/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=58.4142 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.229 g/mol  logS: -1.76117  SlogP: 1.3531  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.220608  Sterimol/B1: 2.46449  Sterimol/B2: 3.74412  Sterimol/B3: 3.79927
  Sterimol/B4: 6.70897  Sterimol/L: 11.3488 
 
 Surface and Volume Properties
  Accessible surface: 408.477  Positive charged surface: 243.279  Negative charged surface: 165.197  Volume: 214.75
  Hydrophobic surface: 311.806  Hydrophilic surface: 96.671
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.