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CHEMBRIDGE-ZINC01058632

 MMsINC code: MMs00655456
Type: Neutral
Formula: C21H20FN3O2
SMILES:   Fc1ccc(cc1)-c1nc(on1)-c1ccccc1C(=O)NC1CCCCC1
InChI:   InChI=1/C21H20FN3O2/c22-15-12-10-14(11-13-15)19-24-21(27-25-19)18-9-5-4-8-17(18)20(26)23-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7H2,(H,23,26)

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Potential Energy
Epot(MMFF94)=86.3807 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.408 g/mol  logS: -7.94982  SlogP: 4.6052  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0613296  Sterimol/B1: 2.47924  Sterimol/B2: 3.14458  Sterimol/B3: 3.89741
  Sterimol/B4: 10.0454  Sterimol/L: 16.7213 
 
 Surface and Volume Properties
  Accessible surface: 631.641  Positive charged surface: 381.246  Negative charged surface: 250.395  Volume: 341.75
  Hydrophobic surface: 571.173  Hydrophilic surface: 60.468
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.