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AURORAFEINCHEMIE-ZINC05268609

 MMsINC code: MMs00473344
Type: Neutral
Formula: C16H28N2O5
SMILES:   O(C(=O)C1CCN(CC1)C(=O)NC(CC(C)C)C(OC)=O)CC
InChI:   InChI=1/C16H28N2O5/c1-5-23-14(19)12-6-8-18(9-7-12)16(21)17-13(10-11(2)3)15(20)22-4/h11-13H,5-10H2,1-4H3,(H,17,21)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=31.5088 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.409 g/mol  logS: -2.51017  SlogP: 1.5588  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0490435  Sterimol/B1: 3.14352  Sterimol/B2: 3.83077  Sterimol/B3: 3.9374
  Sterimol/B4: 5.94338  Sterimol/L: 18.5955 
 
 Surface and Volume Properties
  Accessible surface: 623.611  Positive charged surface: 484.536  Negative charged surface: 139.075  Volume: 326.75
  Hydrophobic surface: 470.589  Hydrophilic surface: 153.022
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.