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PUBCHEM-ZINC02141092

 MMsINC code: MMs02876002
Type: Neutral
Formula: C14H16Cl3NO4
SMILES:   ClC(Cl)(Cl)C(OC(=O)c1ccccc1)NC(OCCCC)=O
InChI:   InChI=1/C14H16Cl3NO4/c1-2-3-9-21-13(20)18-12(14(15,16)17)22-11(19)10-7-5-4-6-8-10/h4-8,12H,2-3,9H2,1H3,(H,18,20)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=40.9186 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.644 g/mol  logS: -5.34869  SlogP: 4.4859  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0493415  Sterimol/B1: 3.25128  Sterimol/B2: 3.81942  Sterimol/B3: 4.06331
  Sterimol/B4: 8.34717  Sterimol/L: 16.3744 
 
 Surface and Volume Properties
  Accessible surface: 602.952  Positive charged surface: 290.474  Negative charged surface: 312.478  Volume: 310.625
  Hydrophobic surface: 360.54  Hydrophilic surface: 242.412
 
 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.