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CHEMDIV-ZINC06858236

 MMsINC code: MMs01047725
Type: Neutral
Formula: C23H27FN2O2
SMILES:   Fc1ccc(cc1)Cn1cc(c2c1cccc2)CCC(=O)NCCCOCC
InChI:   InChI=1/C23H27FN2O2/c1-2-28-15-5-14-25-23(27)13-10-19-17-26(22-7-4-3-6-21(19)22)16-18-8-11-20(24)12-9-18/h3-4,6-9,11-12,17H,2,5,10,13-16H2,1H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.9566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.479 g/mol  logS: -4.39281  SlogP: 4.57047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.02895  Sterimol/B1: 2.94693  Sterimol/B2: 4.4561  Sterimol/B3: 5.24217
  Sterimol/B4: 6.15736  Sterimol/L: 23.2629 
 
 Surface and Volume Properties
  Accessible surface: 720.392  Positive charged surface: 481.15  Negative charged surface: 235.064  Volume: 387
  Hydrophobic surface: 621.878  Hydrophilic surface: 98.514
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.