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ENAMINE-ZINC03371922

 MMsINC code: MMs01402370
Type: Neutral
Formula: C19H16N2O5
SMILES:   O=C1N(Cc2ccccc2)C(=O)c2c1cc(cc2)C(OC(C(=O)N)C)=O
InChI:   InChI=1/C19H16N2O5/c1-11(16(20)22)26-19(25)13-7-8-14-15(9-13)18(24)21(17(14)23)10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H2,20,22)/t11-/m0/s1

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Potential Energy
Epot(MMFF94)=59.307 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.346 g/mol  logS: -4.69013  SlogP: 1.7798  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0701632  Sterimol/B1: 2.77624  Sterimol/B2: 4.2261  Sterimol/B3: 4.72829
  Sterimol/B4: 5.25143  Sterimol/L: 17.8873 
 
 Surface and Volume Properties
  Accessible surface: 607.77  Positive charged surface: 343.933  Negative charged surface: 263.837  Volume: 319.125
  Hydrophobic surface: 373.755  Hydrophilic surface: 234.015
 
 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.