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CHEMBRIDGE-ZINC04056505

 MMsINC code: MMs00760908
Type: Neutral
Formula: C25H32N2O3
SMILES:   O(CC(=O)Nc1ccc(cc1)CCCC)c1ccc(cc1)C(=O)NC1CCCCC1
InChI:   InChI=1/C25H32N2O3/c1-2-3-7-19-10-14-22(15-11-19)26-24(28)18-30-23-16-12-20(13-17-23)25(29)27-21-8-5-4-6-9-21/h10-17,21H,2-9,18H2,1H3,(H,26,28)(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=87.3777 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.542 g/mol  logS: -7.06854  SlogP: 5.10917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0177822  Sterimol/B1: 2.47034  Sterimol/B2: 2.92153  Sterimol/B3: 5.05596
  Sterimol/B4: 6.09844  Sterimol/L: 26.822 
 
 Surface and Volume Properties
  Accessible surface: 777.106  Positive charged surface: 533.865  Negative charged surface: 243.242  Volume: 418.375
  Hydrophobic surface: 664.368  Hydrophilic surface: 112.738
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.