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ENAMINE-ZINC04549664

 MMsINC code: MMs01547019
Type: Neutral
Formula: C25H25NO5
SMILES:   O(Cc1ccccc1)c1ccc(cc1OC)C(OC(C(=O)NCc1ccccc1)C)=O
InChI:   InChI=1/C25H25NO5/c1-18(24(27)26-16-19-9-5-3-6-10-19)31-25(28)21-13-14-22(23(15-21)29-2)30-17-20-11-7-4-8-12-20/h3-15,18H,16-17H2,1-2H3,(H,26,27)/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=109.051 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.477 g/mol  logS: -5.90295  SlogP: 4.6687  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0365433  Sterimol/B1: 2.14656  Sterimol/B2: 4.86883  Sterimol/B3: 5.18602
  Sterimol/B4: 6.04048  Sterimol/L: 24.5912 
 
 Surface and Volume Properties
  Accessible surface: 773.968  Positive charged surface: 476.157  Negative charged surface: 297.812  Volume: 411.875
  Hydrophobic surface: 658.952  Hydrophilic surface: 115.016
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.