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PUBCHEM-ZINC06185201

 MMsINC code: MMs03586208
Type: Neutral
Formula: C16H13ClF2N2O2
SMILES:   Clc1ccc(cc1)C(=O)N\N=C(/C)\c1ccc(OC(F)F)cc1
InChI:   InChI=1/C16H13ClF2N2O2/c1-10(11-4-8-14(9-5-11)23-16(18)19)20-21-15(22)12-2-6-13(17)7-3-12/h2-9,16H,1H3,(H,21,22)/b20-10-

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Potential Energy
Epot(MMFF94)=112.531 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.741 g/mol  logS: -4.71285  SlogP: 4.5153  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.036764  Sterimol/B1: 2.33888  Sterimol/B2: 2.97307  Sterimol/B3: 3.30907
  Sterimol/B4: 9.05823  Sterimol/L: 15.036 
 
 Surface and Volume Properties
  Accessible surface: 550.791  Positive charged surface: 245.053  Negative charged surface: 305.739  Volume: 288.5
  Hydrophobic surface: 401.928  Hydrophilic surface: 148.863
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.