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AURORAFEINCHEMIE-ZINC05349055

 MMsINC code: MMs00474658
Type: Neutral
Formula: C14H26N2O3
SMILES:   OC(=O)C(NC(=O)N1CC(CC(C1)C)C)CC(C)C
InChI:   InChI=1/C14H26N2O3/c1-9(2)5-12(13(17)18)15-14(19)16-7-10(3)6-11(4)8-16/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18)/t10-,11+,12-/m0/s1

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Potential Energy
Epot(MMFF94)=19.2699 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.373 g/mol  logS: -2.21129  SlogP: 2.1732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156451  Sterimol/B1: 2.6635  Sterimol/B2: 3.27985  Sterimol/B3: 5.4923
  Sterimol/B4: 6.19104  Sterimol/L: 14.1341 
 
 Surface and Volume Properties
  Accessible surface: 534.602  Positive charged surface: 381.849  Negative charged surface: 152.753  Volume: 279.625
  Hydrophobic surface: 339.12  Hydrophilic surface: 195.482
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs00474659
AURORAFEINCHEMIE-ZINC05349055