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CHEMBRIDGE-ZINC00614667

 MMsINC code: MMs00634050
Type: Neutral
Formula: C15H14F2N2O3
SMILES:   FC1=CN(C2OCCC2)C(=O)N(Cc2ccccc2F)C1=O
InChI:   InChI=1/C15H14F2N2O3/c16-11-5-2-1-4-10(11)8-19-14(20)12(17)9-18(15(19)21)13-6-3-7-22-13/h1-2,4-5,9,13H,3,6-8H2/t13-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.351 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.284 g/mol  logS: -3.22894  SlogP: 2.9126  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105869  Sterimol/B1: 2.20003  Sterimol/B2: 4.45882  Sterimol/B3: 4.82982
  Sterimol/B4: 5.19083  Sterimol/L: 14.2029 
 
 Surface and Volume Properties
  Accessible surface: 496.627  Positive charged surface: 296.005  Negative charged surface: 200.622  Volume: 263.625
  Hydrophobic surface: 425.546  Hydrophilic surface: 71.081
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.