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CHEMBRIDGE-ZINC00137890

 MMsINC code: MMs00590877
Type: Neutral
Formula: C10H12N2O4
SMILES:   O1C(C=CC1N1C=C(C)C(=O)NC1=O)CO
InChI:   InChI=1/C10H12N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h2-4,7-8,13H,5H2,1H3,(H,11,14,15)/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=9.79205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.216 g/mol  logS: -0.7995  SlogP: -0.2846  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0824397  Sterimol/B1: 2.07341  Sterimol/B2: 3.19424  Sterimol/B3: 3.24768
  Sterimol/B4: 7.0495  Sterimol/L: 11.7521 
 
 Surface and Volume Properties
  Accessible surface: 414.251  Positive charged surface: 259.87  Negative charged surface: 154.381  Volume: 198.375
  Hydrophobic surface: 203.831  Hydrophilic surface: 210.42
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.