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ENAMINE-ZINC06489681

 MMsINC code: MMs01663901
Type: Neutral
Formula: C24H27NO4
SMILES:   O(C(=O)c1ccccc1C(=O)c1ccc(cc1)C)CC(=O)N1CCCCC1CC
InChI:   InChI=1/C24H27NO4/c1-3-19-8-6-7-15-25(19)22(26)16-29-24(28)21-10-5-4-9-20(21)23(27)18-13-11-17(2)12-14-18/h4-5,9-14,19H,3,6-8,15-16H2,1-2H3/t19-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.899 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 393.483 g/mol  logS: -5.66305  SlogP: 4.17392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.090285  Sterimol/B1: 2.61283  Sterimol/B2: 5.27592  Sterimol/B3: 5.94431
  Sterimol/B4: 7.78518  Sterimol/L: 15.6732 
 
 Surface and Volume Properties
  Accessible surface: 696.926  Positive charged surface: 452.33  Negative charged surface: 244.596  Volume: 388
  Hydrophobic surface: 605.751  Hydrophilic surface: 91.175
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.