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ENAMINE-ZINC05655287

 MMsINC code: MMs01630956
Type: Neutral
Formula: C23H25NO4
SMILES:   O(C(=O)c1ccccc1C(=O)c1ccccc1)CC(=O)N1C(CCCC1C)C
InChI:   InChI=1/C23H25NO4/c1-16-9-8-10-17(2)24(16)21(25)15-28-23(27)20-14-7-6-13-19(20)22(26)18-11-4-3-5-12-18/h3-7,11-14,16-17H,8-10,15H2,1-2H3/t16-,17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.783 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.456 g/mol  logS: -5.31457  SlogP: 3.8639  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0780768  Sterimol/B1: 3.35379  Sterimol/B2: 4.06343  Sterimol/B3: 5.1905
  Sterimol/B4: 8.34299  Sterimol/L: 15.5289 
 
 Surface and Volume Properties
  Accessible surface: 650.936  Positive charged surface: 402.575  Negative charged surface: 248.361  Volume: 372.625
  Hydrophobic surface: 549.032  Hydrophilic surface: 101.904
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.