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ENAMINE-ZINC03396730

 MMsINC code: MMs01417460
Type: Neutral
Formula: C17H15F2NO3
SMILES:   Fc1cccc(F)c1C(OC(C(=O)Nc1ccc(cc1)C)C)=O
InChI:   InChI=1/C17H15F2NO3/c1-10-6-8-12(9-7-10)20-16(21)11(2)23-17(22)15-13(18)4-3-5-14(15)19/h3-9,11H,1-2H3,(H,20,21)/t11-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.2379 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.307 g/mol  logS: -5.15413  SlogP: 3.45722  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0579208  Sterimol/B1: 2.82756  Sterimol/B2: 2.96909  Sterimol/B3: 3.99318
  Sterimol/B4: 6.2193  Sterimol/L: 17.5095 
 
 Surface and Volume Properties
  Accessible surface: 565.208  Positive charged surface: 294.285  Negative charged surface: 270.923  Volume: 287.875
  Hydrophobic surface: 478.354  Hydrophilic surface: 86.854
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.