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ENAMINE-ZINC03179699

 MMsINC code: MMs01297184
Type: Neutral
Formula: C10H6Cl3F3N2O
SMILES:   Clc1cc(Cl)cc(Cl)c1N1NC=CC1(O)C(F)(F)F
InChI:   InChI=1/C10H6Cl3F3N2O/c11-5-3-6(12)8(7(13)4-5)18-9(19,1-2-17-18)10(14,15)16/h1-4,17,19H/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=123.823 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.524 g/mol  logS: -4.33333  SlogP: 4.1559  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.223886  Sterimol/B1: 3.00165  Sterimol/B2: 3.1224  Sterimol/B3: 4.40172
  Sterimol/B4: 5.68957  Sterimol/L: 12.7053 
 
 Surface and Volume Properties
  Accessible surface: 431.017  Positive charged surface: 135.903  Negative charged surface: 295.114  Volume: 231.375
  Hydrophobic surface: 301.368  Hydrophilic surface: 129.649
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.