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OTAVA-ZINC04422719

 MMsINC code: MMs02583814
Type: Neutral
Formula: C18H15ClFN5O2
SMILES:   Clc1cccc(F)c1COc1ccc(cc1)\C=N\NC1=NC(=O)NN=C1C
InChI:   InChI=1/C18H15ClFN5O2/c1-11-17(22-18(26)25-23-11)24-21-9-12-5-7-13(8-6-12)27-10-14-15(19)3-2-4-16(14)20/h2-9H,10H2,1H3,(H2,22,24,25,26)/b21-9+

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Potential Energy
Epot(MMFF94)=111.149 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.802 g/mol  logS: -5.63534  SlogP: 3.7456  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0258165  Sterimol/B1: 3.81678  Sterimol/B2: 3.88447  Sterimol/B3: 4.72603
  Sterimol/B4: 6.6954  Sterimol/L: 20.3477 
 
 Surface and Volume Properties
  Accessible surface: 646.347  Positive charged surface: 331.813  Negative charged surface: 314.534  Volume: 335.5
  Hydrophobic surface: 465.789  Hydrophilic surface: 180.558
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.