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ENAMINE-ZINC03298343

 MMsINC code: MMs01357124
Type: Neutral
Formula: C11H13N3O6
SMILES:   O1CCN(CC1)C(=O)COC(=O)C=1NC(=O)NC(=O)C=1
InChI:   InChI=1/C11H13N3O6/c15-8-5-7(12-11(18)13-8)10(17)20-6-9(16)14-1-3-19-4-2-14/h5H,1-4,6H2,(H2,12,13,15,18)

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Potential Energy
Epot(MMFF94)=23.0748 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.24 g/mol  logS: -1.47808  SlogP: -1.8883  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0255904  Sterimol/B1: 2.57431  Sterimol/B2: 2.99714  Sterimol/B3: 3.01062
  Sterimol/B4: 5.64903  Sterimol/L: 15.5856 
 
 Surface and Volume Properties
  Accessible surface: 476.513  Positive charged surface: 322.359  Negative charged surface: 154.155  Volume: 235.875
  Hydrophobic surface: 240.922  Hydrophilic surface: 235.591
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.