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PUBCHEM-ZINC06042483

 MMsINC code: MMs03509249
Type: Neutral
Formula: C9H16Cl3NO
SMILES:   ClC(Cl)(Cl)C(=O)NC(CCCCC)C
InChI:   InChI=1/C9H16Cl3NO/c1-3-4-5-6-7(2)13-8(14)9(10,11)12/h7H,3-6H2,1-2H3,(H,13,14)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=33.7119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.592 g/mol  logS: -4.57272  SlogP: 3.8615  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0800747  Sterimol/B1: 3.35289  Sterimol/B2: 3.69487  Sterimol/B3: 4.82764
  Sterimol/B4: 5.19408  Sterimol/L: 13.6293 
 
 Surface and Volume Properties
  Accessible surface: 471.673  Positive charged surface: 224.156  Negative charged surface: 247.517  Volume: 230.125
  Hydrophobic surface: 230.101  Hydrophilic surface: 241.572
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.