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NCID-ZINC01631893

 MMsINC code: MMs02276675
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)=29.0249 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: 0.132735  Sterimol/B1: 3.21201  Sterimol/B2: 3.263  Sterimol/B3: 4.42619
  Sterimol/B4: 6.10065  Sterimol/L: 12.3549 
 
 Surface and Volume Properties
  Accessible surface: 443.668  Positive charged surface: 322.957  Negative charged surface: 120.711  Volume: 222.875
  Hydrophobic surface: 249.762  Hydrophilic surface: 193.906
 
 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.