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PUBCHEM-ZINC05065721

 MMsINC code: MMs03196537
Type: Neutral
Formula: C26H36N2O2
SMILES:   O=C(NC(C(=O)Nc1ccc(cc1)C)C12CC3CC(C1)CC(C2)C3)C1CCCCC1
InChI:   InChI=1/C26H36N2O2/c1-17-7-9-22(10-8-17)27-25(30)23(28-24(29)21-5-3-2-4-6-21)26-14-18-11-19(15-26)13-20(12-18)16-26/h7-10,18-21,23H,2-6,11-16H2,1H3,(H,27,30)(H,28,29)/t18-,19+,20-,23-,26-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=106.998 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.586 g/mol  logS: -7.8057  SlogP: 5.21502  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115536  Sterimol/B1: 2.58019  Sterimol/B2: 3.6153  Sterimol/B3: 4.62185
  Sterimol/B4: 9.24272  Sterimol/L: 17.9913 
 
 Surface and Volume Properties
  Accessible surface: 666.277  Positive charged surface: 488.384  Negative charged surface: 177.893  Volume: 418.875
  Hydrophobic surface: 617.729  Hydrophilic surface: 48.548
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0
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Ions/Tautomers related molecules: no related molecules available.