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ENAMINE-ZINC02646495

 MMsINC code: MMs01272519
Type: Neutral
Formula: C25H26N2O4
SMILES:   O(C)c1cc(C)c(NC(=O)CC(NC(=O)c2ccccc2)c2ccccc2)cc1OC
InChI:   InChI=1/C25H26N2O4/c1-17-14-22(30-2)23(31-3)15-20(17)26-24(28)16-21(18-10-6-4-7-11-18)27-25(29)19-12-8-5-9-13-19/h4-15,21H,16H2,1-3H3,(H,26,28)(H,27,29)/t21-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=120.789 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.493 g/mol  logS: -5.43849  SlogP: 4.60762  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164206  Sterimol/B1: 2.25086  Sterimol/B2: 3.59943  Sterimol/B3: 8.01563
  Sterimol/B4: 9.38457  Sterimol/L: 17.8624 
 
 Surface and Volume Properties
  Accessible surface: 736.862  Positive charged surface: 491.268  Negative charged surface: 245.594  Volume: 412.875
  Hydrophobic surface: 673.249  Hydrophilic surface: 63.613
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.