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AURORAFEINCHEMIE-ZINC00534992

 MMsINC code: MMs00447378
Type: Neutral
Formula: C14H26N2O3
SMILES:   O(C(=O)C(NC(=O)N1CCC(CC1)C)C(CC)C)C
InChI:   InChI=1/C14H26N2O3/c1-5-11(3)12(13(17)19-4)15-14(18)16-8-6-10(2)7-9-16/h10-12H,5-9H2,1-4H3,(H,15,18)/t11-,12+/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.373 g/mol  logS: -2.42185  SlogP: 2.0156  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127816  Sterimol/B1: 2.00961  Sterimol/B2: 2.89867  Sterimol/B3: 4.92139
  Sterimol/B4: 7.56726  Sterimol/L: 15.306 
 
 Surface and Volume Properties
  Accessible surface: 528.752  Positive charged surface: 409.751  Negative charged surface: 119.001  Volume: 281.125
  Hydrophobic surface: 407.814  Hydrophilic surface: 120.938
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.