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ENAMINE-ZINC05216466

 MMsINC code: MMs01600542
Type: Neutral
Formula: C19H30N2O4
SMILES:   O(C(=O)c1[nH]c(C)c(C(O)C)c1C)CC(=O)NC1CCCC(C)C1C
InChI:   InChI=1/C19H30N2O4/c1-10-7-6-8-15(11(10)2)21-16(23)9-25-19(24)18-12(3)17(14(5)22)13(4)20-18/h10-11,14-15,20,22H,6-9H2,1-5H3,(H,21,23)/t10-,11-,14+,15+/m0/s1

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Potential Energy
Epot(MMFF94)=63.2598 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.459 g/mol  logS: -3.29554  SlogP: 2.87804  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0318208  Sterimol/B1: 2.08428  Sterimol/B2: 2.94173  Sterimol/B3: 4.35795
  Sterimol/B4: 7.2542  Sterimol/L: 19.9919 
 
 Surface and Volume Properties
  Accessible surface: 645.657  Positive charged surface: 455.766  Negative charged surface: 189.89  Volume: 353
  Hydrophobic surface: 444.257  Hydrophilic surface: 201.4
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.