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NCID-ZINC01556038

 MMsINC code: MMs02219606
Type: Neutral
Formula: C6H9ClN2O3
SMILES:   ClC1(C)C(OC)NC(=O)NC1=O
InChI:   InChI=1/C6H9ClN2O3/c1-6(7)3(10)8-5(11)9-4(6)12-2/h4H,1-2H3,(H2,8,9,10,11)/t4-,6+/m1/s1

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Potential Energy
Epot(MMFF94)=-13.0876 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.602 g/mol  logS: -1.25634  SlogP: 0.2157  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.271476  Sterimol/B1: 2.09898  Sterimol/B2: 2.94933  Sterimol/B3: 4.16856
  Sterimol/B4: 7.13554  Sterimol/L: 8.9173 
 
 Surface and Volume Properties
  Accessible surface: 345.092  Positive charged surface: 200.422  Negative charged surface: 144.671  Volume: 155.125
  Hydrophobic surface: 136.732  Hydrophilic surface: 208.36
 
 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.