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PUBCHEM-ZINC05133442

 MMsINC code: MMs03208361
Type: Neutral
Formula: C8H12Cl2N2O2
SMILES:   ClNC(=O)C1CCC(CC1)C(=O)NCl
InChI:   InChI=1/C8H12Cl2N2O2/c9-11-7(13)5-1-2-6(4-3-5)8(14)12-10/h5-6H,1-4H2,(H,11,13)(H,12,14)/t5-,6-

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Potential Energy
Epot(MMFF94)=26.124 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.102 g/mol  logS: -2.15896  SlogP: 1.3328  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0867433  Sterimol/B1: 2.37479  Sterimol/B2: 2.68107  Sterimol/B3: 3.11854
  Sterimol/B4: 4.87439  Sterimol/L: 14.7349 
 
 Surface and Volume Properties
  Accessible surface: 410.693  Positive charged surface: 184.657  Negative charged surface: 226.036  Volume: 197.375
  Hydrophobic surface: 310.805  Hydrophilic surface: 99.888
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.