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PUBCHEM-ZINC05591362

 MMsINC code: MMs03315920
Type: Neutral
Formula: C12H23NO2
SMILES:   O1C(CN(CC1C)C(=O)C(CCC)C)C
InChI:   InChI=1/C12H23NO2/c1-5-6-9(2)12(14)13-7-10(3)15-11(4)8-13/h9-11H,5-8H2,1-4H3/t9-,10-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=48.7439 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.321 g/mol  logS: -2.04436  SlogP: 2.0584  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.253982  Sterimol/B1: 2.91096  Sterimol/B2: 2.93124  Sterimol/B3: 4.85482
  Sterimol/B4: 6.24384  Sterimol/L: 11.4123 
 
 Surface and Volume Properties
  Accessible surface: 449.423  Positive charged surface: 330.64  Negative charged surface: 118.784  Volume: 234.125
  Hydrophobic surface: 328.844  Hydrophilic surface: 120.579
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.