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ENAMINE-ZINC06315827

 MMsINC code: MMs01661414
Type: Neutral
Formula: C20H14F2N4O2
SMILES:   FC(F)Oc1ccccc1\C=C\C=1NC(=O)c2c(n(nc2)-c2ccccc2)N=1
InChI:   InChI=1/C20H14F2N4O2/c21-20(22)28-16-9-5-4-6-13(16)10-11-17-24-18-15(19(27)25-17)12-23-26(18)14-7-2-1-3-8-14/h1-12,20H,(H,24,25,27)/b11-10+

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Potential Energy
Epot(MMFF94)=101.222 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.354 g/mol  logS: -5.06459  SlogP: 4.3804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0185077  Sterimol/B1: 2.56036  Sterimol/B2: 2.76218  Sterimol/B3: 2.80577
  Sterimol/B4: 10.3691  Sterimol/L: 15.0252 
 
 Surface and Volume Properties
  Accessible surface: 598.161  Positive charged surface: 295.536  Negative charged surface: 302.624  Volume: 331.75
  Hydrophobic surface: 421.962  Hydrophilic surface: 176.199
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.