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AURORAFEINCHEMIE-ZINC05164737

 MMsINC code: MMs00472619
Type: Neutral
Formula: C15H26N2O3
SMILES:   O(C(=O)C(NC(=O)NCCC=1CCCCC=1)C(C)C)C
InChI:   InChI=1/C15H26N2O3/c1-11(2)13(14(18)20-3)17-15(19)16-10-9-12-7-5-4-6-8-12/h7,11,13H,4-6,8-10H2,1-3H3,(H2,16,17,19)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=27.649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.384 g/mol  logS: -2.7106  SlogP: 2.3737  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0375244  Sterimol/B1: 2.94535  Sterimol/B2: 3.18065  Sterimol/B3: 3.80895
  Sterimol/B4: 6.03739  Sterimol/L: 18.1394 
 
 Surface and Volume Properties
  Accessible surface: 563.977  Positive charged surface: 440.599  Negative charged surface: 123.377  Volume: 291.5
  Hydrophobic surface: 434.546  Hydrophilic surface: 129.431
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.