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NCID-ZINC01589108

 MMsINC code: MMs02244468
Type: Neutral
Formula: C14H14N2O4
SMILES:   O(C(=O)c1c2c(c(N)cc1)c(N)ccc2C(OC)=O)C
InChI:   InChI=1/C14H14N2O4/c1-19-13(17)7-3-5-9(15)12-10(16)6-4-8(11(7)12)14(18)20-2/h3-6H,15-16H2,1-2H3

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Potential Energy
Epot(MMFF94)=138.072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.276 g/mol  logS: -3.46798  SlogP: 1.5774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0476774  Sterimol/B1: 2.36006  Sterimol/B2: 3.01591  Sterimol/B3: 3.92167
  Sterimol/B4: 6.63367  Sterimol/L: 11.6901 
 
 Surface and Volume Properties
  Accessible surface: 455.504  Positive charged surface: 329.789  Negative charged surface: 115.334  Volume: 243.875
  Hydrophobic surface: 321.299  Hydrophilic surface: 134.205
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.