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PUBCHEM-ZINC02856733

 MMsINC code: MMs02941427
Type: Neutral
Formula: C19H17Cl2FN4O3
SMILES:   Clc1cccc(F)c1Cn1nc(NC(=O)Nc2cc(OC)c(OC)cc2)c(Cl)c1
InChI:   InChI=1/C19H17Cl2FN4O3/c1-28-16-7-6-11(8-17(16)29-2)23-19(27)24-18-14(21)10-26(25-18)9-12-13(20)4-3-5-15(12)22/h3-8,10H,9H2,1-2H3,(H2,23,24,25,27)

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Potential Energy
Epot(MMFF94)=86.4448 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 439.274 g/mol  logS: -5.52558  SlogP: 5.3049  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0406296  Sterimol/B1: 2.17664  Sterimol/B2: 3.35609  Sterimol/B3: 3.85088
  Sterimol/B4: 10.4001  Sterimol/L: 17.5814 
 
 Surface and Volume Properties
  Accessible surface: 674.461  Positive charged surface: 400.488  Negative charged surface: 273.973  Volume: 371.375
  Hydrophobic surface: 564.272  Hydrophilic surface: 110.189
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.