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CHEMDIV-ZINC04790963

 MMsINC code: MMs00956029
Type: Neutral
Formula: C23H20FN3O3
SMILES:   Fc1ccc(cc1)-c1nc2n(C=CC(=C2)C)c1NC(=O)c1ccc(OC)cc1OC
InChI:   InChI=1/C23H20FN3O3/c1-14-10-11-27-20(12-14)25-21(15-4-6-16(24)7-5-15)22(27)26-23(28)18-9-8-17(29-2)13-19(18)30-3/h4-13H,1-3H3,(H,26,28)

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Potential Energy
Epot(MMFF94)=143.946 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.429 g/mol  logS: -6.01829  SlogP: 4.8463  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109399  Sterimol/B1: 2.4997  Sterimol/B2: 3.6498  Sterimol/B3: 5.30411
  Sterimol/B4: 10.7949  Sterimol/L: 17.5147 
 
 Surface and Volume Properties
  Accessible surface: 677.591  Positive charged surface: 429.604  Negative charged surface: 247.986  Volume: 377.625
  Hydrophobic surface: 629.288  Hydrophilic surface: 48.303
 
 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.