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PUBCHEM-ZINC05379920

 MMsINC code: MMs03252300
Type: Neutral
Formula: C25H26N2O2
SMILES:   O(Cc1ccccc1)c1ccccc1\C=N\NC(=O)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C25H26N2O2/c1-25(2,3)22-15-13-20(14-16-22)24(28)27-26-17-21-11-7-8-12-23(21)29-18-19-9-5-4-6-10-19/h4-17H,18H2,1-3H3,(H,27,28)/b26-17+

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Potential Energy
Epot(MMFF94)=144.784 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.495 g/mol  logS: -7.37601  SlogP: 5.5934  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0373057  Sterimol/B1: 2.37671  Sterimol/B2: 4.87247  Sterimol/B3: 6.39657
  Sterimol/B4: 6.50308  Sterimol/L: 18.4433 
 
 Surface and Volume Properties
  Accessible surface: 688.449  Positive charged surface: 435.632  Negative charged surface: 252.818  Volume: 398.875
  Hydrophobic surface: 583.76  Hydrophilic surface: 104.689
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.