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PUBCHEM-ZINC00743454

 MMsINC code: MMs02735793
Type: Neutral
Formula: C25H26N2O2
SMILES:   O=C(NC(Cc1ccccc1)C(=O)Nc1ccc(cc1)CC)c1ccc(cc1)C
InChI:   InChI=1/C25H26N2O2/c1-3-19-11-15-22(16-12-19)26-25(29)23(17-20-7-5-4-6-8-20)27-24(28)21-13-9-18(2)10-14-21/h4-16,23H,3,17H2,1-2H3,(H,26,29)(H,27,28)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=116.177 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.495 g/mol  logS: -6.81987  SlogP: 4.53716  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.036419  Sterimol/B1: 2.28174  Sterimol/B2: 4.17765  Sterimol/B3: 4.65436
  Sterimol/B4: 8.68808  Sterimol/L: 18.7141 
 
 Surface and Volume Properties
  Accessible surface: 693.491  Positive charged surface: 422.081  Negative charged surface: 271.41  Volume: 393.625
  Hydrophobic surface: 616.656  Hydrophilic surface: 76.835
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.