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ENAMINE-ZINC04979202

 MMsINC code: MMs01571232
Type: Neutral
Formula: C24H19N3O4
SMILES:   o1c(nnc1COC(=O)CNC(=O)c1ccc(cc1)-c1ccccc1)-c1ccccc1
InChI:   InChI=1/C24H19N3O4/c28-22(30-16-21-26-27-24(31-21)20-9-5-2-6-10-20)15-25-23(29)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h1-14H,15-16H2,(H,25,29)

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Potential Energy
Epot(MMFF94)=114.854 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.433 g/mol  logS: -7.93231  SlogP: 4.1432  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0210398  Sterimol/B1: 3.48575  Sterimol/B2: 4.06605  Sterimol/B3: 4.48993
  Sterimol/B4: 5.43853  Sterimol/L: 25.5706 
 
 Surface and Volume Properties
  Accessible surface: 739.103  Positive charged surface: 378.998  Negative charged surface: 349.034  Volume: 387.75
  Hydrophobic surface: 567.438  Hydrophilic surface: 171.665
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.