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NCID-ZINC01642841

 MMsINC code: MMs02284531
Type: Neutral
Formula: C14H16N2O5
SMILES:   O=C1NC(=O)N(C=C1c1ccccc1)COC(CO)CO
InChI:   InChI=1/C14H16N2O5/c17-7-11(8-18)21-9-16-6-12(13(19)15-14(16)20)10-4-2-1-3-5-10/h1-6,11,17-18H,7-9H2,(H,15,19,20)

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Potential Energy
Epot(MMFF94)=55.1991 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.291 g/mol  logS: -1.52761  SlogP: -0.0934  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118232  Sterimol/B1: 2.83151  Sterimol/B2: 3.51398  Sterimol/B3: 3.61356
  Sterimol/B4: 6.94478  Sterimol/L: 14.0458 
 
 Surface and Volume Properties
  Accessible surface: 515.824  Positive charged surface: 343.464  Negative charged surface: 172.36  Volume: 265.25
  Hydrophobic surface: 305.652  Hydrophilic surface: 210.172
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.