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PUBCHEM-ZINC05113193

 MMsINC code: MMs03201551
Type: Neutral
Formula: C8H14Cl2N2O3
SMILES:   ClC(Cl)C(=O)NCCCCC(N)C(O)=O
InChI:   InChI=1/C8H14Cl2N2O3/c9-6(10)7(13)12-4-2-1-3-5(11)8(14)15/h5-6H,1-4,11H2,(H,12,13)(H,14,15)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=38.7261 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 257.117 g/mol  logS: -1.46691  SlogP: 0.9084  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0444247  Sterimol/B1: 2.57608  Sterimol/B2: 3.17386  Sterimol/B3: 3.22149
  Sterimol/B4: 4.49286  Sterimol/L: 15.7695 
 
 Surface and Volume Properties
  Accessible surface: 473.194  Positive charged surface: 253.828  Negative charged surface: 219.366  Volume: 217.625
  Hydrophobic surface: 156.767  Hydrophilic surface: 316.427
 
 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.