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NCID-ZINC01580164

 MMsINC code: MMs02237818
Type: Neutral
Formula: C17H11ClF6N2O3
SMILES:   Clc1ccccc1C(=O)NC(=O)Nc1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
InChI:   InChI=1/C17H11ClF6N2O3/c18-12-4-2-1-3-11(12)13(27)26-14(28)25-10-7-5-9(6-8-10)15(29,16(19,20)21)17(22,23)24/h1-8,29H,(H2,25,26,27,28)

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Potential Energy
Epot(MMFF94)=122.048 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.727 g/mol  logS: -6.25469  SlogP: 5.7654  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0282049  Sterimol/B1: 2.60151  Sterimol/B2: 3.4766  Sterimol/B3: 3.82366
  Sterimol/B4: 6.34019  Sterimol/L: 18.9893 
 
 Surface and Volume Properties
  Accessible surface: 592.291  Positive charged surface: 215.921  Negative charged surface: 376.37  Volume: 320.375
  Hydrophobic surface: 315.127  Hydrophilic surface: 277.164
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.