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PUBCHEM-ZINC02035161

 MMsINC code: MMs02860909
Type: Neutral
Formula: C8H14Cl2N2O3
SMILES:   ClC(Cl)C(=O)NC(CCCCN)C(O)=O
InChI:   InChI=1/C8H14Cl2N2O3/c9-6(10)7(13)12-5(8(14)15)3-1-2-4-11/h5-6H,1-4,11H2,(H,12,13)(H,14,15)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=35.9465 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: 0.0832065  Sterimol/B1: 2.86739  Sterimol/B2: 4.22678  Sterimol/B3: 5.09749
  Sterimol/B4: 5.19169  Sterimol/L: 13.4599 
 
 Surface and Volume Properties
  Accessible surface: 463.623  Positive charged surface: 254.35  Negative charged surface: 209.274  Volume: 216.375
  Hydrophobic surface: 154.38  Hydrophilic surface: 309.243
 
 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.