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CHEMDIV-ZINC05067127

 MMsINC code: MMs00986465
Type: Neutral
Formula: C23H26N2O5
SMILES:   O(C)c1cc(ccc1OC)CCNC(=O)COC1=CC(=O)N(c2c1cccc2)CC
InChI:   InChI=1/C23H26N2O5/c1-4-25-18-8-6-5-7-17(18)20(14-23(25)27)30-15-22(26)24-12-11-16-9-10-19(28-2)21(13-16)29-3/h5-10,13-14H,4,11-12,15H2,1-3H3,(H,24,26)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=115.518 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.47 g/mol  logS: -4.62552  SlogP: 2.78667  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0491738  Sterimol/B1: 2.53875  Sterimol/B2: 4.49858  Sterimol/B3: 4.88972
  Sterimol/B4: 7.29104  Sterimol/L: 22.4683 
 
 Surface and Volume Properties
  Accessible surface: 726.651  Positive charged surface: 515.033  Negative charged surface: 211.617  Volume: 396.375
  Hydrophobic surface: 596.326  Hydrophilic surface: 130.325
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.