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PUBCHEM-ZINC06627856

 MMsINC code: MMs03829516
Type: Neutral
Formula: C20H23FN2O3
SMILES:   Fc1cc(ccc1OC)C(N1CCCCC1C(O)=O)c1ncc(cc1)C
InChI:   InChI=1/C20H23FN2O3/c1-13-6-8-16(22-12-13)19(14-7-9-18(26-2)15(21)11-14)23-10-4-3-5-17(23)20(24)25/h6-9,11-12,17,19H,3-5,10H2,1-2H3,(H,24,25)/t17-,19+/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.805 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.413 g/mol  logS: -3.17483  SlogP: 3.66172  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177049  Sterimol/B1: 2.34699  Sterimol/B2: 3.19362  Sterimol/B3: 4.92387
  Sterimol/B4: 10.1461  Sterimol/L: 14.7708 
 
 Surface and Volume Properties
  Accessible surface: 589.91  Positive charged surface: 418.879  Negative charged surface: 171.031  Volume: 340.625
  Hydrophobic surface: 517.029  Hydrophilic surface: 72.881
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.