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PUBCHEM-ZINC02141099

 MMsINC code: MMs02876007
Type: Neutral
Formula: C6H10Cl3NO3
SMILES:   ClC(Cl)(Cl)C(OC)NC(OCC)=O
InChI:   InChI=1/C6H10Cl3NO3/c1-3-13-5(11)10-4(12-2)6(7,8)9/h4H,3H2,1-2H3,(H,10,11)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=11.4007 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.509 g/mol  logS: -2.59827  SlogP: 2.4951  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0858622  Sterimol/B1: 3.34261  Sterimol/B2: 3.42287  Sterimol/B3: 4.58197
  Sterimol/B4: 4.66245  Sterimol/L: 13.0285 
 
 Surface and Volume Properties
  Accessible surface: 422.99  Positive charged surface: 204.407  Negative charged surface: 218.583  Volume: 194.25
  Hydrophobic surface: 186.416  Hydrophilic surface: 236.574
 
 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.