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PUBCHEM-ZINC04203743

 MMsINC code: MMs03099756
Type: Neutral
Formula: C11H21NO2
SMILES:   O(C(=O)C1CCNCC1C)C(C)(C)C
InChI:   InChI=1/C11H21NO2/c1-8-7-12-6-5-9(8)10(13)14-11(2,3)4/h8-9,12H,5-7H2,1-4H3/t8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=33.9967 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -1.25791  SlogP: 1.5737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111546  Sterimol/B1: 2.18703  Sterimol/B2: 3.16322  Sterimol/B3: 3.55619
  Sterimol/B4: 6.61804  Sterimol/L: 12.2221 
 
 Surface and Volume Properties
  Accessible surface: 426.857  Positive charged surface: 335.216  Negative charged surface: 91.6412  Volume: 214.375
  Hydrophobic surface: 314.376  Hydrophilic surface: 112.481
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03099757
PUBCHEM-ZINC04203743