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PUBCHEM-ZINC05733318

 MMsINC code: MMs03364244
Type: Neutral
Formula: C11H20Cl2N2O2
SMILES:   ClCCN(C(=O)C(NC(=O)C)C(C)C)CCCl
InChI:   InChI=1/C11H20Cl2N2O2/c1-8(2)10(14-9(3)16)11(17)15(6-4-12)7-5-13/h8,10H,4-7H2,1-3H3,(H,14,16)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=51.6018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.199 g/mol  logS: -2.09836  SlogP: 1.4533  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.263639  Sterimol/B1: 2.32877  Sterimol/B2: 3.38612  Sterimol/B3: 5.17718
  Sterimol/B4: 7.90503  Sterimol/L: 13.6197 
 
 Surface and Volume Properties
  Accessible surface: 495.834  Positive charged surface: 258.2  Negative charged surface: 237.634  Volume: 263.125
  Hydrophobic surface: 263.474  Hydrophilic surface: 232.36
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.