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PUBCHEM-ZINC02945927

 MMsINC code: MMs02964413
Type: Neutral
Formula: C25H28N2O6
SMILES:   O(CC)c1cc(ccc1OCCOc1ccc(cc1)C(C)(C)C)C=C1C(=O)NC(=O)NC1=O
InChI:   InChI=1/C25H28N2O6/c1-5-31-21-15-16(14-19-22(28)26-24(30)27-23(19)29)6-11-20(21)33-13-12-32-18-9-7-17(8-10-18)25(2,3)4/h6-11,14-15H,5,12-13H2,1-4H3,(H2,26,27,28,29,30)

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Potential Energy
Epot(MMFF94)=97.7953 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 452.507 g/mol  logS: -7.10337  SlogP: 3.59  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0311338  Sterimol/B1: 2.45104  Sterimol/B2: 2.67842  Sterimol/B3: 4.60605
  Sterimol/B4: 9.31441  Sterimol/L: 22.4229 
 
 Surface and Volume Properties
  Accessible surface: 778.261  Positive charged surface: 509.082  Negative charged surface: 269.179  Volume: 428.25
  Hydrophobic surface: 505.04  Hydrophilic surface: 273.221
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.