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AURORAFEINCHEMIE-ZINC02406664

 MMsINC code: MMs00453136
Type: Neutral
Formula: C14H28N2O4
SMILES:   O(C(C)C)CCCNC(=O)NC(C(CC)C)C(OC)=O
InChI:   InChI=1/C14H28N2O4/c1-6-11(4)12(13(17)19-5)16-14(18)15-8-7-9-20-10(2)3/h10-12H,6-9H2,1-5H3,(H2,15,16,18)/t11-,12+/m1/s1

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Potential Energy
Epot(MMFF94)=16.3055 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.388 g/mol  logS: -2.2573  SlogP: 1.6884  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.037341  Sterimol/B1: 2.47431  Sterimol/B2: 2.88696  Sterimol/B3: 3.76975
  Sterimol/B4: 8.83518  Sterimol/L: 17.5386 
 
 Surface and Volume Properties
  Accessible surface: 610.914  Positive charged surface: 464.71  Negative charged surface: 146.205  Volume: 299.25
  Hydrophobic surface: 445.079  Hydrophilic surface: 165.835
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.