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PUBCHEM-ZINC05526291

 MMsINC code: MMs03297564
Type: Neutral
Formula: C12H20ClNO3
SMILES:   ClCC(=O)NC(CC1CCCCC1)C(OC)=O
InChI:   InChI=1/C12H20ClNO3/c1-17-12(16)10(14-11(15)8-13)7-9-5-3-2-4-6-9/h9-10H,2-8H2,1H3,(H,14,15)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=45.6186 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.749 g/mol  logS: -3.9396  SlogP: 1.8534  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.152419  Sterimol/B1: 2.48817  Sterimol/B2: 3.61244  Sterimol/B3: 4.02208
  Sterimol/B4: 9.51872  Sterimol/L: 12.6838 
 
 Surface and Volume Properties
  Accessible surface: 498.454  Positive charged surface: 342.248  Negative charged surface: 156.206  Volume: 248.75
  Hydrophobic surface: 360.625  Hydrophilic surface: 137.829
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.