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PUBCHEM-ZINC06385621

 MMsINC code: MMs03699849
Type: Neutral
Formula: C20H26N2O4
SMILES:   O=C1NC(=O)N(CCCC(OCC)=O)C(Cc2ccccc2)=C1C(C)C
InChI:   InChI=1/C20H26N2O4/c1-4-26-17(23)11-8-12-22-16(13-15-9-6-5-7-10-15)18(14(2)3)19(24)21-20(22)25/h5-7,9-10,14H,4,8,11-13H2,1-3H3,(H,21,24,25)

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Potential Energy
Epot(MMFF94)=53.154 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.438 g/mol  logS: -4.30169  SlogP: 3.03427  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0998018  Sterimol/B1: 3.19297  Sterimol/B2: 5.28449  Sterimol/B3: 5.4709
  Sterimol/B4: 5.96372  Sterimol/L: 17.2267 
 
 Surface and Volume Properties
  Accessible surface: 628.743  Positive charged surface: 409.405  Negative charged surface: 219.339  Volume: 351.875
  Hydrophobic surface: 432.505  Hydrophilic surface: 196.238
 
 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.