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PUBCHEM-ZINC01016645

 MMsINC code: MMs02757407
Type: Neutral
Formula: C22H17F2N3O
SMILES:   Fc1ccc(cc1)C1N(N=C(C1)c1ccc(F)cc1)C(=O)Nc1ccccc1
InChI:   InChI=1/C22H17F2N3O/c23-17-10-6-15(7-11-17)20-14-21(16-8-12-18(24)13-9-16)27(26-20)22(28)25-19-4-2-1-3-5-19/h1-13,21H,14H2,(H,25,28)/t21-/m1/s1

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Potential Energy
Epot(MMFF94)=91.4942 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.394 g/mol  logS: -6.01676  SlogP: 5.4435  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104914  Sterimol/B1: 3.52221  Sterimol/B2: 3.52718  Sterimol/B3: 4.61709
  Sterimol/B4: 9.36814  Sterimol/L: 16.7952 
 
 Surface and Volume Properties
  Accessible surface: 631.406  Positive charged surface: 331.355  Negative charged surface: 300.051  Volume: 347.25
  Hydrophobic surface: 590.479  Hydrophilic surface: 40.927
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.