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PUBCHEM-ZINC05501685

 MMsINC code: MMs03289041
Type: Neutral
Formula: C6H10Cl2N2O3
SMILES:   ClCC(NC(=O)NCCCl)C(O)=O
InChI:   InChI=1/C6H10Cl2N2O3/c7-1-2-9-6(13)10-4(3-8)5(11)12/h4H,1-3H2,(H,11,12)(H2,9,10,13)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=3.66377 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.063 g/mol  logS: -1.13073  SlogP: 0.2164  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0604199  Sterimol/B1: 2.57076  Sterimol/B2: 3.47334  Sterimol/B3: 4.07978
  Sterimol/B4: 4.36806  Sterimol/L: 13.8909 
 
 Surface and Volume Properties
  Accessible surface: 408.242  Positive charged surface: 217.615  Negative charged surface: 190.627  Volume: 181.375
  Hydrophobic surface: 133.814  Hydrophilic surface: 274.428
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  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


MMs03289042
PUBCHEM-ZINC05501685