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CHEMDIV-ZINC03038980

 MMsINC code: MMs00906565
Type: Neutral
Formula: C23H31FN2O2
SMILES:   Fc1ccccc1C1N(C2CCCCC2)C(=O)CN(C1=O)C1CCCCCC1
InChI:   InChI=1/C23H31FN2O2/c24-20-15-9-8-14-19(20)22-23(28)25(17-10-4-1-2-5-11-17)16-21(27)26(22)18-12-6-3-7-13-18/h8-9,14-15,17-18,22H,1-7,10-13,16H2/t22-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=130.413 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.511 g/mol  logS: -5.39292  SlogP: 4.6886  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103026  Sterimol/B1: 2.59793  Sterimol/B2: 3.51642  Sterimol/B3: 5.31851
  Sterimol/B4: 8.45952  Sterimol/L: 16.1971 
 
 Surface and Volume Properties
  Accessible surface: 618.988  Positive charged surface: 439.332  Negative charged surface: 179.656  Volume: 380.5
  Hydrophobic surface: 582.933  Hydrophilic surface: 36.055
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.