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AURORAFEINCHEMIE-ZINC06508907

 MMsINC code: MMs00476962
Type: Neutral
Formula: C19H20N2O5
SMILES:   o1nc(C)c(COC(=O)C(N2C(=O)c3c(cccc3)C2=O)C(C)C)c1C
InChI:   InChI=1/C19H20N2O5/c1-10(2)16(19(24)25-9-15-11(3)20-26-12(15)4)21-17(22)13-7-5-6-8-14(13)18(21)23/h5-8,10,16H,9H2,1-4H3/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=72.8124 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.378 g/mol  logS: -4.11468  SlogP: 2.92184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.137848  Sterimol/B1: 2.48593  Sterimol/B2: 3.81128  Sterimol/B3: 6.05105
  Sterimol/B4: 6.05684  Sterimol/L: 16.7827 
 
 Surface and Volume Properties
  Accessible surface: 595.975  Positive charged surface: 329.646  Negative charged surface: 266.33  Volume: 332.75
  Hydrophobic surface: 453.246  Hydrophilic surface: 142.729
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.