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CHEMBRIDGE-ZINC00752954

 MMsINC code: MMs00643152
Type: Neutral
Formula: C25H16FN3O2
SMILES:   Fc1ccc(cc1)C(=O)Nc1ncnc2oc(c(c12)-c1ccccc1)-c1ccccc1
InChI:   InChI=1/C25H16FN3O2/c26-19-13-11-18(12-14-19)24(30)29-23-21-20(16-7-3-1-4-8-16)22(17-9-5-2-6-10-17)31-25(21)28-15-27-23/h1-15H,(H,27,28,29,30)

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Potential Energy
Epot(MMFF94)=93.9704 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.42 g/mol  logS: -9.89536  SlogP: 5.9482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0486218  Sterimol/B1: 2.51134  Sterimol/B2: 3.44128  Sterimol/B3: 3.56345
  Sterimol/B4: 10.2504  Sterimol/L: 17.3545 
 
 Surface and Volume Properties
  Accessible surface: 633.423  Positive charged surface: 360.64  Negative charged surface: 268.066  Volume: 376.375
  Hydrophobic surface: 508.81  Hydrophilic surface: 124.613
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.