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PUBCHEM-ZINC02028776

 MMsINC code: MMs02858235
Type: Neutral
Formula: C8H13Cl3N2O4
SMILES:   ClC(Cl)(Cl)COC(=O)NCCCC(N)C(O)=O
InChI:   InChI=1/C8H13Cl3N2O4/c9-8(10,11)4-17-7(16)13-3-1-2-5(12)6(14)15/h5H,1-4,12H2,(H,13,16)(H,14,15)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=12.8454 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.561 g/mol  logS: -2.33843  SlogP: 1.6948  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0393126  Sterimol/B1: 3.06913  Sterimol/B2: 3.46729  Sterimol/B3: 3.83239
  Sterimol/B4: 3.85908  Sterimol/L: 17.0728 
 
 Surface and Volume Properties
  Accessible surface: 520.989  Positive charged surface: 250.578  Negative charged surface: 270.411  Volume: 238
  Hydrophobic surface: 136.895  Hydrophilic surface: 384.094
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.