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PUBCHEM-ZINC06267934

 MMsINC code: MMs03648869
Type: Neutral
Formula: C11H17Cl2NO
SMILES:   ClC1(Cl)CC1(C(=O)N1CC(CCC1)C)C
InChI:   InChI=1/C11H17Cl2NO/c1-8-4-3-5-14(6-8)9(15)10(2)7-11(10,12)13/h8H,3-7H2,1-2H3/t8-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=20.2093 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.169 g/mol  logS: -2.50842  SlogP: 3.2487  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.182731  Sterimol/B1: 2.23753  Sterimol/B2: 3.25444  Sterimol/B3: 4.04238
  Sterimol/B4: 6.58596  Sterimol/L: 12.2762 
 
 Surface and Volume Properties
  Accessible surface: 437.437  Positive charged surface: 239.008  Negative charged surface: 198.429  Volume: 231.375
  Hydrophobic surface: 268.894  Hydrophilic surface: 168.543
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.