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AURORAFEINCHEMIE-ZINC05347963

 MMsINC code: MMs00474515
Type: Neutral
Formula: C20H36N4O6
SMILES:   O(C(=O)C(NC(=O)N1CCN(CC1)C(=O)NC(CC(C)C)C(OC)=O)CC(C)C)C
InChI:   InChI=1/C20H36N4O6/c1-13(2)11-15(17(25)29-5)21-19(27)23-7-9-24(10-8-23)20(28)22-16(12-14(3)4)18(26)30-6/h13-16H,7-12H2,1-6H3,(H,21,27)(H,22,28)/t15-,16-/m0/s1

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Potential Energy
Epot(MMFF94)=62.0894 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 428.53 g/mol  logS: -3.49016  SlogP: 1.1986  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0681907  Sterimol/B1: 2.51178  Sterimol/B2: 3.30161  Sterimol/B3: 5.49829
  Sterimol/B4: 8.87892  Sterimol/L: 18.8302 
 
 Surface and Volume Properties
  Accessible surface: 764.34  Positive charged surface: 597.737  Negative charged surface: 166.603  Volume: 421.875
  Hydrophobic surface: 570.808  Hydrophilic surface: 193.532
 
 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.