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CHEMBRIDGE-ZINC04948149

 MMsINC code: MMs00812637
Type: Neutral
Formula: C16H25ClO4
SMILES:   ClCCCCCCOC(=O)C1C2CC(OC2=O)(CC1C)C
InChI:   InChI=1/C16H25ClO4/c1-11-9-16(2)10-12(14(18)21-16)13(11)15(19)20-8-6-4-3-5-7-17/h11-13H,3-10H2,1-2H3/t11-,12-,13+,16-/m0/s1

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Potential Energy
Epot(MMFF94)=42.3886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.825 g/mol  logS: -3.23762  SlogP: 3.3066  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0381996  Sterimol/B1: 2.09992  Sterimol/B2: 2.93326  Sterimol/B3: 4.45938
  Sterimol/B4: 6.77874  Sterimol/L: 19.569 
 
 Surface and Volume Properties
  Accessible surface: 587.109  Positive charged surface: 389.447  Negative charged surface: 197.662  Volume: 303.75
  Hydrophobic surface: 400.976  Hydrophilic surface: 186.133
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.