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PUBCHEM-ZINC05316529

 MMsINC code: MMs03238360
Type: Neutral
Formula: C7H11FN2O3
SMILES:   FC1(C)C(OCC)NC(=O)NC1=O
InChI:   InChI=1/C7H11FN2O3/c1-3-13-5-7(2,8)4(11)9-6(12)10-5/h5H,3H2,1-2H3,(H2,9,10,11,12)/t5-,7+/m1/s1

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Potential Energy
Epot(MMFF94)=-12.6871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.174 g/mol  logS: -1.14196  SlogP: 0.3365  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.239519  Sterimol/B1: 2.60324  Sterimol/B2: 4.06254  Sterimol/B3: 4.13218
  Sterimol/B4: 5.0564  Sterimol/L: 10.023 
 
 Surface and Volume Properties
  Accessible surface: 364.716  Positive charged surface: 224.964  Negative charged surface: 139.752  Volume: 160.375
  Hydrophobic surface: 154.242  Hydrophilic surface: 210.474
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.