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ENAMINE-ZINC06789890

 MMsINC code: MMs01699128
Type: Neutral
Formula: C24H33NO4
SMILES:   O(C)c1c(OC)cc(cc1OC)CC(=O)NC(C(C)C)c1ccc(cc1)C(C)C
InChI:   InChI=1/C24H33NO4/c1-15(2)18-8-10-19(11-9-18)23(16(3)4)25-22(26)14-17-12-20(27-5)24(29-7)21(13-17)28-6/h8-13,15-16,23H,14H2,1-7H3,(H,25,26)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=124.859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.531 g/mol  logS: -5.74663  SlogP: 4.98727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0646732  Sterimol/B1: 2.75444  Sterimol/B2: 3.64219  Sterimol/B3: 5.16012
  Sterimol/B4: 7.89909  Sterimol/L: 20.5787 
 
 Surface and Volume Properties
  Accessible surface: 731.51  Positive charged surface: 570.383  Negative charged surface: 161.127  Volume: 416.375
  Hydrophobic surface: 617.333  Hydrophilic surface: 114.177
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.