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PUBCHEM-ZINC06483445

 MMsINC code: MMs03759793
Type: Neutral
Formula: C15H12ClF3N2O2
SMILES:   Clc1ccc2NC(=O)NC(c2c1OC)(C#CC1CC1)C(F)(F)F
InChI:   InChI=1/C15H12ClF3N2O2/c1-23-12-9(16)4-5-10-11(12)14(15(17,18)19,21-13(22)20-10)7-6-8-2-3-8/h4-5,8H,2-3H2,1H3,(H2,20,21,22)/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=77.9594 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.72 g/mol  logS: -5.5957  SlogP: 4.38611  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.172943  Sterimol/B1: 3.67657  Sterimol/B2: 3.86153  Sterimol/B3: 3.90212
  Sterimol/B4: 7.94738  Sterimol/L: 12.5027 
 
 Surface and Volume Properties
  Accessible surface: 497.795  Positive charged surface: 246.059  Negative charged surface: 251.736  Volume: 277.25
  Hydrophobic surface: 290.548  Hydrophilic surface: 207.247
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.