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PUBCHEM-ZINC06567498

 MMsINC code: MMs03801483
Type: Neutral
Formula: C12H7Cl2F4NO3
SMILES:   ClC(Cl)=CCOC1(OC(=O)Nc2c1cc(F)cc2)C(F)(F)F
InChI:   InChI=1/C12H7Cl2F4NO3/c13-9(14)3-4-21-11(12(16,17)18)7-5-6(15)1-2-8(7)19-10(20)22-11/h1-3,5H,4H2,(H,19,20)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=45.8029 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.09 g/mol  logS: -5.52065  SlogP: 5.2788  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.241424  Sterimol/B1: 2.45663  Sterimol/B2: 3.5753  Sterimol/B3: 4.23245
  Sterimol/B4: 7.38419  Sterimol/L: 12.6487 
 
 Surface and Volume Properties
  Accessible surface: 483.731  Positive charged surface: 141.352  Negative charged surface: 342.38  Volume: 252
  Hydrophobic surface: 291.578  Hydrophilic surface: 192.153
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.