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NCID-ZINC01642650

 MMsINC code: MMs02284389
Type: Neutral
Formula: C6H8Cl2N2O3
SMILES:   ClC1(Cl)C(O)N(C)C(=O)N(C)C1=O
InChI:   InChI=1/C6H8Cl2N2O3/c1-9-3(11)6(7,8)4(12)10(2)5(9)13/h3,11H,1-2H3/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=10.9291 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.047 g/mol  logS: -1.19321  SlogP: 0.4224  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.207669  Sterimol/B1: 2.59733  Sterimol/B2: 3.63849  Sterimol/B3: 4.07252
  Sterimol/B4: 6.84434  Sterimol/L: 9.39127 
 
 Surface and Volume Properties
  Accessible surface: 363.007  Positive charged surface: 194.976  Negative charged surface: 168.032  Volume: 172
  Hydrophobic surface: 156.821  Hydrophilic surface: 206.186
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.