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PUBCHEM-ZINC05963135

 MMsINC code: MMs03463462
Type: Neutral
Formula: C20H29F3N2O3
SMILES:   FC(F)(F)CNC(C(C)C)C(=O)NC(Cc1ccccc1)C(OC(C)(C)C)=O
InChI:   InChI=1/C20H29F3N2O3/c1-13(2)16(24-12-20(21,22)23)17(26)25-15(18(27)28-19(3,4)5)11-14-9-7-6-8-10-14/h6-10,13,15-16,24H,11-12H2,1-5H3,(H,25,26)/t15-,16+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=127.012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.457 g/mol  logS: -4.56296  SlogP: 3.65197  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109607  Sterimol/B1: 2.45237  Sterimol/B2: 4.71172  Sterimol/B3: 6.45737
  Sterimol/B4: 7.76789  Sterimol/L: 14.6067 
 
 Surface and Volume Properties
  Accessible surface: 664.93  Positive charged surface: 378.366  Negative charged surface: 286.564  Volume: 382.25
  Hydrophobic surface: 431.48  Hydrophilic surface: 233.45
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.