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ENAMINE-ZINC03389308

 MMsINC code: MMs01412660
Type: Neutral
Formula: C20H15NO4
SMILES:   O(C(=O)c1cc2c(cc1)cccc2)CC(=O)NC(=O)c1ccccc1
InChI:   InChI=1/C20H15NO4/c22-18(21-19(23)15-7-2-1-3-8-15)13-25-20(24)17-11-10-14-6-4-5-9-16(14)12-17/h1-12H,13H2,(H,21,22,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.1793 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.343 g/mol  logS: -5.97227  SlogP: 2.9532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00127327  Sterimol/B1: 2.37405  Sterimol/B2: 2.37504  Sterimol/B3: 3.58404
  Sterimol/B4: 4.56423  Sterimol/L: 21.0716 
 
 Surface and Volume Properties
  Accessible surface: 601.699  Positive charged surface: 308.345  Negative charged surface: 282.284  Volume: 313.625
  Hydrophobic surface: 486.648  Hydrophilic surface: 115.051
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.