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CHEMBRIDGE-ZINC02878098

 MMsINC code: MMs00732599
Type: Neutral
Formula: C26H27NO2
SMILES:   O(C)c1ccc(cc1)C(NC(=O)Cc1cc2CCCCc2cc1)c1ccccc1
InChI:   InChI=1/C26H27NO2/c1-29-24-15-13-22(14-16-24)26(21-8-3-2-4-9-21)27-25(28)18-19-11-12-20-7-5-6-10-23(20)17-19/h2-4,8-9,11-17,26H,5-7,10,18H2,1H3,(H,27,28)/t26-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.3988 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 385.507 g/mol  logS: -7.0549  SlogP: 5.11771  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0779651  Sterimol/B1: 2.07037  Sterimol/B2: 3.10677  Sterimol/B3: 4.98825
  Sterimol/B4: 9.81625  Sterimol/L: 19.6908 
 
 Surface and Volume Properties
  Accessible surface: 708.718  Positive charged surface: 470.627  Negative charged surface: 238.092  Volume: 401
  Hydrophobic surface: 671.516  Hydrophilic surface: 37.202
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.