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ENAMINE-ZINC03247409

 MMsINC code: MMs01328648
Type: Neutral
Formula: C27H33NO4
SMILES:   O(C(=O)CNC(=O)c1ccc(cc1)C(C)(C)C)CC(=O)c1ccc(cc1)C1CCCCC1
InChI:   InChI=1/C27H33NO4/c1-27(2,3)23-15-13-22(14-16-23)26(31)28-17-25(30)32-18-24(29)21-11-9-20(10-12-21)19-7-5-4-6-8-19/h9-16,19H,4-8,17-18H2,1-3H3,(H,28,31)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.952 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 435.564 g/mol  logS: -9.00599  SlogP: 5.1877  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0157504  Sterimol/B1: 2.37528  Sterimol/B2: 3.86142  Sterimol/B3: 4.87477
  Sterimol/B4: 6.47177  Sterimol/L: 24.3902 
 
 Surface and Volume Properties
  Accessible surface: 789.131  Positive charged surface: 511.422  Negative charged surface: 277.709  Volume: 444.625
  Hydrophobic surface: 607.61  Hydrophilic surface: 181.521
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.