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AURORAFEINCHEMIE-ZINC06666376

 MMsINC code: MMs00478748
Type: Neutral
Formula: C15H15Cl2NO3
SMILES:   Clc1c2c(NC(=O)C(CCCC)=C2OC(=O)C)c(Cl)cc1
InChI:   InChI=1/C15H15Cl2NO3/c1-3-4-5-9-14(21-8(2)19)12-10(16)6-7-11(17)13(12)18-15(9)20/h6-7H,3-5H2,1-2H3,(H,18,20)

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Potential Energy
Epot(MMFF94)=65.954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.195 g/mol  logS: -5.63593  SlogP: 4.4099  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0933524  Sterimol/B1: 2.38825  Sterimol/B2: 4.53812  Sterimol/B3: 4.71839
  Sterimol/B4: 6.80265  Sterimol/L: 14.5177 
 
 Surface and Volume Properties
  Accessible surface: 522.742  Positive charged surface: 277.16  Negative charged surface: 245.582  Volume: 282.625
  Hydrophobic surface: 418.79  Hydrophilic surface: 103.952
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.