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MAYBRIDGE-ZINC04382925

 MMsINC code: MMs02173266
Type: Neutral
Formula: C14H10ClF3N2O2
SMILES:   Clc1ccc(NC(=O)c2cnc(OC)cc2C(F)(F)F)cc1
InChI:   InChI=1/C14H10ClF3N2O2/c1-22-12-6-11(14(16,17)18)10(7-19-12)13(21)20-9-4-2-8(15)3-5-9/h2-7H,1H3,(H,20,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=73.5252 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.693 g/mol  logS: -4.24921  SlogP: 4.3262  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0217465  Sterimol/B1: 2.3991  Sterimol/B2: 2.54271  Sterimol/B3: 3.12891
  Sterimol/B4: 6.78477  Sterimol/L: 17.2599 
 
 Surface and Volume Properties
  Accessible surface: 512.529  Positive charged surface: 252.236  Negative charged surface: 260.293  Volume: 260.75
  Hydrophobic surface: 377.352  Hydrophilic surface: 135.177
 
 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.