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ENAMINE-ZINC04926845

 MMsINC code: MMs01565419
Type: Neutral
Formula: C26H33NO3
SMILES:   O(C(=O)C1CCC(CC1)C(C)(C)C)CC(=O)NC(c1ccccc1)c1ccccc1
InChI:   InChI=1/C26H33NO3/c1-26(2,3)22-16-14-21(15-17-22)25(29)30-18-23(28)27-24(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21-22,24H,14-18H2,1-3H3,(H,27,28)/t21-,22+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=107.162 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 407.554 g/mol  logS: -7.62248  SlogP: 5.3834  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0989239  Sterimol/B1: 2.93933  Sterimol/B2: 5.6465  Sterimol/B3: 5.76826
  Sterimol/B4: 6.2316  Sterimol/L: 18.5994 
 
 Surface and Volume Properties
  Accessible surface: 720.912  Positive charged surface: 458.514  Negative charged surface: 262.398  Volume: 422.625
  Hydrophobic surface: 613.828  Hydrophilic surface: 107.084
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.