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KEYORGANICS-ZINC01398582

 MMsINC code: MMs02104964
Type: Neutral
Formula: C17H10Cl2F3NO2
SMILES:   Clc1cc(ccc1Cl)-c1onc(c1)COc1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C17H10Cl2F3NO2/c18-14-5-4-10(6-15(14)19)16-8-12(23-25-16)9-24-13-3-1-2-11(7-13)17(20,21)22/h1-8H,9H2

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Potential Energy
Epot(MMFF94)=93.383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.172 g/mol  logS: -6.92274  SlogP: 6.8241  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00610664  Sterimol/B1: 2.63338  Sterimol/B2: 2.64275  Sterimol/B3: 3.28364
  Sterimol/B4: 7.09582  Sterimol/L: 18.0385 
 
 Surface and Volume Properties
  Accessible surface: 592.943  Positive charged surface: 196.129  Negative charged surface: 396.814  Volume: 304
  Hydrophobic surface: 453.088  Hydrophilic surface: 139.855
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.