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PUBCHEM-ZINC06158147

 MMsINC code: MMs03569159
Type: Neutral
Formula: C8H14ClNO2
SMILES:   ClC1CCCCC1C(N)C(O)=O
InChI:   InChI=1/C8H14ClNO2/c9-6-4-2-1-3-5(6)7(10)8(11)12/h5-7H,1-4,10H2,(H,11,12)/t5-,6+,7-/m0/s1

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Potential Energy
Epot(MMFF94)=35.4673 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 191.658 g/mol  logS: -1.38872  SlogP: 1.6158  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.175496  Sterimol/B1: 2.47259  Sterimol/B2: 2.57313  Sterimol/B3: 4.46589
  Sterimol/B4: 5.33532  Sterimol/L: 10.1665 
 
 Surface and Volume Properties
  Accessible surface: 354.007  Positive charged surface: 223.322  Negative charged surface: 130.684  Volume: 173.875
  Hydrophobic surface: 175.068  Hydrophilic surface: 178.939
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.