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PUBCHEM-ZINC01410669

 MMsINC code: MMs02801953
Type: Neutral
Formula: C26H28N2O3
SMILES:   O(C)c1ccc(NC(=O)C(N(Cc2ccccc2C)C(=O)Cc2ccccc2)C)cc1
InChI:   InChI=1/C26H28N2O3/c1-19-9-7-8-12-22(19)18-28(25(29)17-21-10-5-4-6-11-21)20(2)26(30)27-23-13-15-24(31-3)16-14-23/h4-16,20H,17-18H2,1-3H3,(H,27,30)/t20-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=138.818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.521 g/mol  logS: -6.10233  SlogP: 4.86849  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104892  Sterimol/B1: 2.34039  Sterimol/B2: 3.35679  Sterimol/B3: 6.76557
  Sterimol/B4: 10.007  Sterimol/L: 19.1198 
 
 Surface and Volume Properties
  Accessible surface: 725.993  Positive charged surface: 451.422  Negative charged surface: 274.571  Volume: 420.375
  Hydrophobic surface: 650.425  Hydrophilic surface: 75.568
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.