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AURORAFEINCHEMIE-ZINC04026343

 MMsINC code: MMs00461659
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-/m1/s1

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Potential Energy
Epot(MMFF94)=94.745 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: 0.0650803  Sterimol/B1: 2.0404  Sterimol/B2: 3.04444  Sterimol/B3: 4.73617
  Sterimol/B4: 9.42423  Sterimol/L: 20.0661 
 
 Surface and Volume Properties
  Accessible surface: 697.142  Positive charged surface: 521.84  Negative charged surface: 175.301  Volume: 390.5
  Hydrophobic surface: 505.466  Hydrophilic surface: 191.676
 
 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.