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PUBCHEM-ZINC05411196

 MMsINC code: MMs03260396
Type: Neutral
Formula: C5H7Cl2NO2
SMILES:   Cl\C(=C/Cl)\CC(N)C(O)=O
InChI:   InChI=1/C5H7Cl2NO2/c6-2-3(7)1-4(8)5(9)10/h2,4H,1,8H2,(H,9,10)/b3-2+/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=33.4128 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.022 g/mol  logS: -1.02834  SlogP: 1.3252  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153403  Sterimol/B1: 2.55402  Sterimol/B2: 3.48577  Sterimol/B3: 3.79226
  Sterimol/B4: 4.13084  Sterimol/L: 10.1286 
 
 Surface and Volume Properties
  Accessible surface: 330.888  Positive charged surface: 127.128  Negative charged surface: 203.761  Volume: 143.5
  Hydrophobic surface: 197.417  Hydrophilic surface: 133.471
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.