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CHEMBLOCK-ZINC02171943

 MMsINC code: MMs00529733
Type: Neutral
Formula: C26H28N2O3
SMILES:   O(CCNC(=O)C(NC(=O)c1ccccc1)Cc1ccccc1)c1c(cccc1C)C
InChI:   InChI=1/C26H28N2O3/c1-19-10-9-11-20(2)24(19)31-17-16-27-26(30)23(18-21-12-5-3-6-13-21)28-25(29)22-14-7-4-8-15-22/h3-15,23H,16-18H2,1-2H3,(H,27,30)(H,28,29)/t23-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=118.284 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.521 g/mol  logS: -5.69861  SlogP: 3.83971  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0430651  Sterimol/B1: 3.61025  Sterimol/B2: 3.63488  Sterimol/B3: 4.24347
  Sterimol/B4: 7.21257  Sterimol/L: 19.7178 
 
 Surface and Volume Properties
  Accessible surface: 717.626  Positive charged surface: 431.589  Negative charged surface: 286.037  Volume: 424.25
  Hydrophobic surface: 661.733  Hydrophilic surface: 55.893
 
 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.