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PUBCHEM-ZINC00649647

 MMsINC code: MMs02720244
Type: Neutral
Formula: C20H14ClFN4O2
SMILES:   Clc1cc(NC(=O)c2nn3c(N=C(C=C3C)c3ccc(F)cc3)c2)c(O)cc1
InChI:   InChI=1/C20H14ClFN4O2/c1-11-8-15(12-2-5-14(22)6-3-12)23-19-10-17(25-26(11)19)20(28)24-16-9-13(21)4-7-18(16)27/h2-10,27H,1H3,(H,24,28)

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Potential Energy
Epot(MMFF94)=113.231 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.809 g/mol  logS: -5.76753  SlogP: 4.6287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.011345  Sterimol/B1: 2.08873  Sterimol/B2: 2.64211  Sterimol/B3: 3.57139
  Sterimol/B4: 8.38382  Sterimol/L: 20.2984 
 
 Surface and Volume Properties
  Accessible surface: 645.253  Positive charged surface: 298.904  Negative charged surface: 346.349  Volume: 340.25
  Hydrophobic surface: 525.321  Hydrophilic surface: 119.932
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.