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AURORAFEINCHEMIE-ZINC02391273

 MMsINC code: MMs00452904
Type: Neutral
Formula: C11H18NO2P
SMILES:   P(OCC)(=O)(C(N)(C)C)c1ccccc1
InChI:   InChI=1/C11H18NO2P/c1-4-14-15(13,11(2,3)12)10-8-6-5-7-9-10/h5-9H,4,12H2,1-3H3/t15-/m0/s1

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Potential Energy
Epot(MMFF94)=52.12 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.244 g/mol  logS: -1.90963  SlogP: 1.2511  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.237829  Sterimol/B1: 2.47886  Sterimol/B2: 3.76171  Sterimol/B3: 3.82847
  Sterimol/B4: 8.58194  Sterimol/L: 11.2376 
 
 Surface and Volume Properties
  Accessible surface: 445.516  Positive charged surface: 290.683  Negative charged surface: 154.833  Volume: 231.125
  Hydrophobic surface: 325.943  Hydrophilic surface: 119.573
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.