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CHEMBLOCK-ZINC04491378

 MMsINC code: MMs00553810
Type: Neutral
Formula: C19H20FN7O2
SMILES:   Fc1ccc(Nc2nc(nc(n2)N\N=C/c2cc(OC)c(O)cc2)N(C)C)cc1
InChI:   InChI=1/C19H20FN7O2/c1-27(2)19-24-17(22-14-7-5-13(20)6-8-14)23-18(25-19)26-21-11-12-4-9-15(28)16(10-12)29-3/h4-11,28H,1-3H3,(H2,22,23,24,25,26)/b21-11-

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Potential Energy
Epot(MMFF94)=67.0949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 397.414 g/mol  logS: -5.40859  SlogP: 2.9805  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0503107  Sterimol/B1: 2.91775  Sterimol/B2: 3.06288  Sterimol/B3: 3.78598
  Sterimol/B4: 11.7685  Sterimol/L: 16.2223 
 
 Surface and Volume Properties
  Accessible surface: 680.846  Positive charged surface: 504.387  Negative charged surface: 176.459  Volume: 363.25
  Hydrophobic surface: 523.2  Hydrophilic surface: 157.646
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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.