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MAYBRIDGE-ZINC04382947

 MMsINC code: MMs02173275
Type: Neutral
Formula: C14H9Cl2F3N2O2
SMILES:   Clc1cc(Cl)ccc1NC(=O)c1cnc(OC)cc1C(F)(F)F
InChI:   InChI=1/C14H9Cl2F3N2O2/c1-23-12-5-9(14(17,18)19)8(6-20-12)13(22)21-11-3-2-7(15)4-10(11)16/h2-6H,1H3,(H,21,22)

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Potential Energy
Epot(MMFF94)=75.8612 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.138 g/mol  logS: -4.9835  SlogP: 4.9796  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0223746  Sterimol/B1: 2.51601  Sterimol/B2: 3.17631  Sterimol/B3: 3.50459
  Sterimol/B4: 6.78424  Sterimol/L: 17.2588 
 
 Surface and Volume Properties
  Accessible surface: 531.688  Positive charged surface: 234.839  Negative charged surface: 296.849  Volume: 277
  Hydrophobic surface: 400.587  Hydrophilic surface: 131.101
 
 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.