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NCID-ZINC01586280

 MMsINC code: MMs02242469
Type: Neutral
Formula: C7H9FN2O5
SMILES:   FC1(C(OC)=O)C(OC)NC(=O)NC1=O
InChI:   InChI=1/C7H9FN2O5/c1-14-4-7(8,5(12)15-2)3(11)9-6(13)10-4/h4H,1-2H3,(H2,9,10,11,13)/t4-,7+/m0/s1

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Potential Energy
Epot(MMFF94)=-1.38219 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.156 g/mol  logS: -0.89571  SlogP: -0.9005  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121338  Sterimol/B1: 2.13755  Sterimol/B2: 2.41846  Sterimol/B3: 3.92832
  Sterimol/B4: 6.45469  Sterimol/L: 11.4466 
 
 Surface and Volume Properties
  Accessible surface: 376.14  Positive charged surface: 256.699  Negative charged surface: 119.44  Volume: 170.875
  Hydrophobic surface: 182.388  Hydrophilic surface: 193.752
 
 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.