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ASINEX-ZINC04853682

 MMsINC code: MMs00383103
Type: Neutral
Formula: C19H18N2O5
SMILES:   O1C(=C/C(/OC1(CC)C)=C\C=C1C(=O)NC(=O)NC1=O)c1ccccc1
InChI:   InChI=1/C19H18N2O5/c1-3-19(2)25-13(11-15(26-19)12-7-5-4-6-8-12)9-10-14-16(22)20-18(24)21-17(14)23/h4-11H,3H2,1-2H3,(H2,20,21,22,23,24)/b13-9-/t19-/m1/s1

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Potential Energy
Epot(MMFF94)=50.3838 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.362 g/mol  logS: -5.05655  SlogP: 2.3768  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0495419  Sterimol/B1: 1.969  Sterimol/B2: 2.55742  Sterimol/B3: 5.21476
  Sterimol/B4: 9.36489  Sterimol/L: 17.4708 
 
 Surface and Volume Properties
  Accessible surface: 592.79  Positive charged surface: 338.747  Negative charged surface: 254.044  Volume: 323.5
  Hydrophobic surface: 362.748  Hydrophilic surface: 230.042
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.