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PUBCHEM-ZINC02015455

 MMsINC code: MMs02851799
Type: Neutral
Formula: C14H24N2O2
SMILES:   O=C1C2(CCC(C2(C)C)C1NCC(=O)N(C)C)C
InChI:   InChI=1/C14H24N2O2/c1-13(2)9-6-7-14(13,3)12(18)11(9)15-8-10(17)16(4)5/h9,11,15H,6-8H2,1-5H3/t9-,11+,14+/m0/s1

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Potential Energy
Epot(MMFF94)=103.954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.358 g/mol  logS: -1.72342  SlogP: 1.058  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116783  Sterimol/B1: 2.01433  Sterimol/B2: 2.63755  Sterimol/B3: 5.49713
  Sterimol/B4: 5.72198  Sterimol/L: 14.3755 
 
 Surface and Volume Properties
  Accessible surface: 487.866  Positive charged surface: 372.891  Negative charged surface: 114.975  Volume: 263.75
  Hydrophobic surface: 369.807  Hydrophilic surface: 118.059
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.