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CHEMDIV-ZINC06901218

 MMsINC code: MMs01059151
Type: Neutral
Formula: C26H32N2O2
SMILES:   OC(=O)c1n(c2c(ccc(c2)C)c1CNC1CCCCCC1)Cc1ccccc1C
InChI:   InChI=1/C26H32N2O2/c1-18-13-14-22-23(16-27-21-11-5-3-4-6-12-21)25(26(29)30)28(24(22)15-18)17-20-10-8-7-9-19(20)2/h7-10,13-15,21,27H,3-6,11-12,16-17H2,1-2H3,(H,29,30)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=126.632 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.554 g/mol  logS: -6.13371  SlogP: 6.34984  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103162  Sterimol/B1: 2.14326  Sterimol/B2: 3.843  Sterimol/B3: 4.59434
  Sterimol/B4: 10.9574  Sterimol/L: 15.9297 
 
 Surface and Volume Properties
  Accessible surface: 673.895  Positive charged surface: 449.622  Negative charged surface: 220.184  Volume: 416
  Hydrophobic surface: 585.691  Hydrophilic surface: 88.204
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 1
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Ions/Tautomers related molecules: no related molecules available.