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ENAMINE-ZINC04827584

 MMsINC code: MMs01553864
Type: Neutral
Formula: C25H23NO5
SMILES:   O(C(=O)C)c1ccc(cc1)-c1ccc(cc1)C(OC(C(=O)NCc1ccccc1)C)=O
InChI:   InChI=1/C25H23NO5/c1-17(24(28)26-16-19-6-4-3-5-7-19)30-25(29)22-10-8-20(9-11-22)21-12-14-23(15-13-21)31-18(2)27/h3-15,17H,16H2,1-2H3,(H,26,28)/t17-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.349 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 417.461 g/mol  logS: -6.81419  SlogP: 4.407  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0232352  Sterimol/B1: 2.07764  Sterimol/B2: 3.65136  Sterimol/B3: 4.85475
  Sterimol/B4: 5.96395  Sterimol/L: 25.7456 
 
 Surface and Volume Properties
  Accessible surface: 751.753  Positive charged surface: 409.234  Negative charged surface: 332.664  Volume: 403.625
  Hydrophobic surface: 608.938  Hydrophilic surface: 142.815
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.