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PUBCHEM-ZINC06255950

 MMsINC code: MMs03641399
Type: Neutral
Formula: C19H33N3O6
SMILES:   O(C(C)(C)C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NCC(OC)=O
InChI:   InChI=1/C19H33N3O6/c1-12(2)10-13(16(24)20-11-15(23)27-6)21-17(25)14-8-7-9-22(14)18(26)28-19(3,4)5/h12-14H,7-11H2,1-6H3,(H,20,24)(H,21,25)/t13-,14+/m0/s1

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Potential Energy
Epot(MMFF94)=93.9688 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.488 g/mol  logS: -3.58068  SlogP: 1.206  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.121798  Sterimol/B1: 2.19381  Sterimol/B2: 2.70848  Sterimol/B3: 6.1057
  Sterimol/B4: 9.00127  Sterimol/L: 19.232 
 
 Surface and Volume Properties
  Accessible surface: 716.799  Positive charged surface: 542.627  Negative charged surface: 174.171  Volume: 389
  Hydrophobic surface: 514.991  Hydrophilic surface: 201.808
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.