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ENAMINE-ZINC05704205

 MMsINC code: MMs01636414
Type: Neutral
Formula: C25H26N2O3
SMILES:   O(CCNC(=O)C(NC(=O)c1ccccc1)Cc1ccccc1)c1ccc(cc1)C
InChI:   InChI=1/C25H26N2O3/c1-19-12-14-22(15-13-19)30-17-16-26-25(29)23(18-20-8-4-2-5-9-20)27-24(28)21-10-6-3-7-11-21/h2-15,23H,16-18H2,1H3,(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)=111.736 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.494 g/mol  logS: -5.85159  SlogP: 3.53129  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0520032  Sterimol/B1: 3.44307  Sterimol/B2: 4.35834  Sterimol/B3: 5.28239
  Sterimol/B4: 5.97284  Sterimol/L: 21.1075 
 
 Surface and Volume Properties
  Accessible surface: 725.977  Positive charged surface: 441.602  Negative charged surface: 284.375  Volume: 404.125
  Hydrophobic surface: 665.261  Hydrophilic surface: 60.716
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.