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PUBCHEM-ZINC03038350

 MMsINC code: MMs02984265
Type: Neutral
Formula: C20H26ClFN2O2
SMILES:   ClCC(=O)N(C(C(=O)NC1CCC(CC1)C)c1ccc(F)cc1)C1CC1
InChI:   InChI=1/C20H26ClFN2O2/c1-13-2-8-16(9-3-13)23-20(26)19(14-4-6-15(22)7-5-14)24(17-10-11-17)18(25)12-21/h4-7,13,16-17,19H,2-3,8-12H2,1H3,(H,23,26)/t13-,16+,19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.183 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.891 g/mol  logS: -5.19659  SlogP: 3.887  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.225005  Sterimol/B1: 4.66974  Sterimol/B2: 5.0379  Sterimol/B3: 5.52579
  Sterimol/B4: 5.76817  Sterimol/L: 13.8304 
 
 Surface and Volume Properties
  Accessible surface: 612.952  Positive charged surface: 365.551  Negative charged surface: 247.401  Volume: 362.375
  Hydrophobic surface: 452.141  Hydrophilic surface: 160.811
 
 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.