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AURORAFEINCHEMIE-ZINC06744579

 MMsINC code: MMs00480884
Type: Neutral
Formula: C12H24N2O2
SMILES:   O(C(C)(C)C)C(=O)NC1(CCCCC1)CN
InChI:   InChI=1/C12H24N2O2/c1-11(2,3)16-10(15)14-12(9-13)7-5-4-6-8-12/h4-9,13H2,1-3H3,(H,14,15)

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Potential Energy
Epot(MMFF94)=38.335 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.336 g/mol  logS: -1.98406  SlogP: 2.1727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159433  Sterimol/B1: 3.0437  Sterimol/B2: 3.92086  Sterimol/B3: 4.00515
  Sterimol/B4: 5.28072  Sterimol/L: 12.3624 
 
 Surface and Volume Properties
  Accessible surface: 458.665  Positive charged surface: 358.523  Negative charged surface: 100.142  Volume: 243.25
  Hydrophobic surface: 334.669  Hydrophilic surface: 123.996
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.