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CHEMBRIDGE-ZINC04844727

 MMsINC code: MMs00801084
Type: Neutral
Formula: C26H29NO2
SMILES:   Oc1ccc(cc1)CC(C(=O)NCc1ccc(cc1)C(C)(C)C)c1ccccc1
InChI:   InChI=1/C26H29NO2/c1-26(2,3)22-13-9-20(10-14-22)18-27-25(29)24(21-7-5-4-6-8-21)17-19-11-15-23(28)16-12-19/h4-16,24,28H,17-18H2,1-3H3,(H,27,29)/t24-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=96.7209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.523 g/mol  logS: -6.72194  SlogP: 5.59877  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0865703  Sterimol/B1: 3.77542  Sterimol/B2: 4.52296  Sterimol/B3: 4.71727
  Sterimol/B4: 5.56979  Sterimol/L: 19.7646 
 
 Surface and Volume Properties
  Accessible surface: 702.593  Positive charged surface: 444.76  Negative charged surface: 257.833  Volume: 409.25
  Hydrophobic surface: 560.498  Hydrophilic surface: 142.095
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.