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NCID-ZINC01631894

 MMsINC code: MMs02276676
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-/m0/s1

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Potential Energy
Epot(MMFF94)=9.71302 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: 0.0765269  Sterimol/B1: 2.46051  Sterimol/B2: 3.20191  Sterimol/B3: 3.47721
  Sterimol/B4: 7.84299  Sterimol/L: 12.2906 
 
 Surface and Volume Properties
  Accessible surface: 464.078  Positive charged surface: 334.91  Negative charged surface: 129.168  Volume: 224.875
  Hydrophobic surface: 255.389  Hydrophilic surface: 208.689
 
 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.