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NCID-ZINC01693241

 MMsINC code: MMs02324797
Type: Neutral
Formula: C15H25Cl3O2
SMILES:   ClC(Cl)(Cl)C(OC(=O)CCCCCCC\C=C/C)(C)C
InChI:   InChI=1/C15H25Cl3O2/c1-4-5-6-7-8-9-10-11-12-13(19)20-14(2,3)15(16,17)18/h4-5H,6-12H2,1-3H3/b5-4-

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Potential Energy
Epot(MMFF94)=54.6486 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 343.722 g/mol  logS: -6.85436  SlogP: 6.4051  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0377163  Sterimol/B1: 3.04672  Sterimol/B2: 3.35755  Sterimol/B3: 4.77797
  Sterimol/B4: 4.85987  Sterimol/L: 20.3692 
 
 Surface and Volume Properties
  Accessible surface: 621.273  Positive charged surface: 343.469  Negative charged surface: 277.804  Volume: 326.25
  Hydrophobic surface: 389.193  Hydrophilic surface: 232.08
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.