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NCID-ZINC01631895

 MMsINC code: MMs02276677
Type: Neutral
Formula: C11H14N2O5
SMILES:   O1C(C=CC1N1C=C(COC)C(=O)NC1=O)CO
InChI:   InChI=1/C11H14N2O5/c1-17-6-7-4-13(11(16)12-10(7)15)9-3-2-8(5-14)18-9/h2-4,8-9,14H,5-6H2,1H3,(H,12,15,16)/t8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=12.1629 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.242 g/mol  logS: -0.93478  SlogP: -0.6581  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.082315  Sterimol/B1: 2.35309  Sterimol/B2: 3.07458  Sterimol/B3: 3.34887
  Sterimol/B4: 8.4489  Sterimol/L: 10.9422 
 
 Surface and Volume Properties
  Accessible surface: 451.354  Positive charged surface: 323.697  Negative charged surface: 127.657  Volume: 225
  Hydrophobic surface: 241.74  Hydrophilic surface: 209.614
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.