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AURORAFEINCHEMIE-ZINC00542056

 MMsINC code: MMs00447529
Type: Neutral
Formula: C15H28N2O3
SMILES:   O(C(=O)C(NC(=O)NC1CCCCC1C)C(CC)C)C
InChI:   InChI=1/C15H28N2O3/c1-5-10(2)13(14(18)20-4)17-15(19)16-12-9-7-6-8-11(12)3/h10-13H,5-9H2,1-4H3,(H2,16,17,19)/t10-,11+,12+,13+/m1/s1

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Potential Energy
Epot(MMFF94)=17.5628 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.4 g/mol  logS: -2.93138  SlogP: 2.452  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0638171  Sterimol/B1: 2.49583  Sterimol/B2: 2.75908  Sterimol/B3: 3.77549
  Sterimol/B4: 8.76668  Sterimol/L: 14.6428 
 
 Surface and Volume Properties
  Accessible surface: 564.571  Positive charged surface: 426.85  Negative charged surface: 137.721  Volume: 297.375
  Hydrophobic surface: 440.773  Hydrophilic surface: 123.798
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.