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AURORAFEINCHEMIE-ZINC02391197

 MMsINC code: MMs00452854
Type: Neutral
Formula: C11H18NO3P
SMILES:   P(OCC)(OCC)(=O)CNc1ccccc1
InChI:   InChI=1/C11H18NO3P/c1-3-14-16(13,15-4-2)10-12-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3

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Potential Energy
Epot(MMFF94)=64.7884 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 243.243 g/mol  logS: -1.5621  SlogP: 2.2519  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0864731  Sterimol/B1: 2.39622  Sterimol/B2: 3.18952  Sterimol/B3: 3.8991
  Sterimol/B4: 7.96563  Sterimol/L: 13.4992 
 
 Surface and Volume Properties
  Accessible surface: 493.808  Positive charged surface: 336.969  Negative charged surface: 156.839  Volume: 237.625
  Hydrophobic surface: 387.226  Hydrophilic surface: 106.582
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.