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ENAMINE-ZINC03471734

 MMsINC code: MMs01461568
Type: Neutral
Formula: C20H24N2O5
SMILES:   O=C1N(CCC(C)C)C(=O)c2c1cc(cc2)C(OCC(=O)N1CCCC1)=O
InChI:   InChI=1/C20H24N2O5/c1-13(2)7-10-22-18(24)15-6-5-14(11-16(15)19(22)25)20(26)27-12-17(23)21-8-3-4-9-21/h5-6,11,13H,3-4,7-10,12H2,1-2H3

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Potential Energy
Epot(MMFF94)=57.4537 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.421 g/mol  logS: -4.49484  SlogP: 2.1079  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0202796  Sterimol/B1: 3.06075  Sterimol/B2: 3.62582  Sterimol/B3: 3.93442
  Sterimol/B4: 4.49085  Sterimol/L: 22.0739 
 
 Surface and Volume Properties
  Accessible surface: 670.908  Positive charged surface: 453.161  Negative charged surface: 217.747  Volume: 354.875
  Hydrophobic surface: 478.029  Hydrophilic surface: 192.879
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.