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NCID-ZINC01762588

 MMsINC code: MMs02368141
Type: Neutral
Formula: C14H19N2O4P
SMILES:   P(OCCC(OCc1ccccc1)=O)(=O)(N1CC1)N1CC1
InChI:   InChI=1/C14H19N2O4P/c17-14(19-12-13-4-2-1-3-5-13)6-11-20-21(18,15-7-8-15)16-9-10-16/h1-5H,6-12H2

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Potential Energy
Epot(MMFF94)=48.0367 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.29 g/mol  logS: -1.25823  SlogP: 1.072  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.040584  Sterimol/B1: 3.52503  Sterimol/B2: 3.81709  Sterimol/B3: 4.17058
  Sterimol/B4: 5.66733  Sterimol/L: 18.1218 
 
 Surface and Volume Properties
  Accessible surface: 579.83  Positive charged surface: 344.315  Negative charged surface: 235.516  Volume: 289.875
  Hydrophobic surface: 498.481  Hydrophilic surface: 81.349
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.