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CHEMBRIDGE-ZINC02837895

 MMsINC code: MMs00723335
Type: Neutral
Formula: C23H28N2O3
SMILES:   O(CC(=O)Nc1ccccc1CC)c1ccc(cc1)C(=O)NC1CCCCC1
InChI:   InChI=1/C23H28N2O3/c1-2-17-8-6-7-11-21(17)25-22(26)16-28-20-14-12-18(13-15-20)23(27)24-19-9-4-3-5-10-19/h6-8,11-15,19H,2-5,9-10,16H2,1H3,(H,24,27)(H,25,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=91.7861 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.488 g/mol  logS: -5.72465  SlogP: 4.32897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.017782  Sterimol/B1: 2.45907  Sterimol/B2: 2.91257  Sterimol/B3: 3.6692
  Sterimol/B4: 8.24349  Sterimol/L: 22.4193 
 
 Surface and Volume Properties
  Accessible surface: 700.902  Positive charged surface: 463.653  Negative charged surface: 237.249  Volume: 386.25
  Hydrophobic surface: 604.183  Hydrophilic surface: 96.719
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.