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AURORAFEINCHEMIE-ZINC05245955

 MMsINC code: MMs00473128
Type: Neutral
Formula: C15H28N2O3
SMILES:   O(C(=O)C(NC(=O)N1CC(CC(C1)C)C)C(CC)C)C
InChI:   InChI=1/C15H28N2O3/c1-6-12(4)13(14(18)20-5)16-15(19)17-8-10(2)7-11(3)9-17/h10-13H,6-9H2,1-5H3,(H,16,19)/t10-,11+,12-,13+/m1/s1

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Potential Energy
Epot(MMFF94)=29.7577 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.4 g/mol  logS: -2.31017  SlogP: 2.2616  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127588  Sterimol/B1: 2.28471  Sterimol/B2: 2.53556  Sterimol/B3: 5.19083
  Sterimol/B4: 8.66604  Sterimol/L: 13.862 
 
 Surface and Volume Properties
  Accessible surface: 562.222  Positive charged surface: 424.478  Negative charged surface: 137.744  Volume: 301.25
  Hydrophobic surface: 425.863  Hydrophilic surface: 136.359
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.