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ENAMINE-ZINC04549726

 MMsINC code: MMs01547045
Type: Neutral
Formula: C23H27NO6
SMILES:   O1C(CN(CC1C)C(=O)COC(=O)c1cc(OC)c(OCc2ccccc2)cc1)C
InChI:   InChI=1/C23H27NO6/c1-16-12-24(13-17(2)30-16)22(25)15-29-23(26)19-9-10-20(21(11-19)27-3)28-14-18-7-5-4-6-8-18/h4-11,16-17H,12-15H2,1-3H3/t16-,17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.587 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.47 g/mol  logS: -4.64775  SlogP: 3.3332  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0294431  Sterimol/B1: 2.31371  Sterimol/B2: 2.42508  Sterimol/B3: 5.04476
  Sterimol/B4: 8.52418  Sterimol/L: 22.174 
 
 Surface and Volume Properties
  Accessible surface: 742.403  Positive charged surface: 500.17  Negative charged surface: 242.232  Volume: 398
  Hydrophobic surface: 604.198  Hydrophilic surface: 138.205
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.