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PUBCHEM-ZINC05945977

 MMsINC code: MMs03455923
Type: Neutral
Formula: C21H15ClF2N2O2
SMILES:   Clc1ccccc1COc1ccc(cc1)\C=N\NC(=O)c1cc(F)ccc1F
InChI:   InChI=1/C21H15ClF2N2O2/c22-19-4-2-1-3-15(19)13-28-17-8-5-14(6-9-17)12-25-26-21(27)18-11-16(23)7-10-20(18)24/h1-12H,13H2,(H,26,27)/b25-12+

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Potential Energy
Epot(MMFF94)=104.499 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.812 g/mol  logS: -6.68068  SlogP: 5.2275  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00106801  Sterimol/B1: 2.37281  Sterimol/B2: 2.37728  Sterimol/B3: 3.98481
  Sterimol/B4: 6.02622  Sterimol/L: 22.6572 
 
 Surface and Volume Properties
  Accessible surface: 671.783  Positive charged surface: 317.804  Negative charged surface: 353.979  Volume: 352.875
  Hydrophobic surface: 591.48  Hydrophilic surface: 80.303
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.