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NCID-ZINC04769450

 MMsINC code: MMs02402228
Type: Neutral
Formula: C11H19NO2
SMILES:   OC(=O)C1(N)CC2CCC1(C)C2(C)C
InChI:   InChI=1/C11H19NO2/c1-9(2)7-4-5-10(9,3)11(12,6-7)8(13)14/h7H,4-6,12H2,1-3H3,(H,13,14)/t7-,10-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=107.906 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.278 g/mol  logS: -2.08082  SlogP: 1.6147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.580976  Sterimol/B1: 2.75638  Sterimol/B2: 3.64464  Sterimol/B3: 4.21045
  Sterimol/B4: 5.27575  Sterimol/L: 9.45628 
 
 Surface and Volume Properties
  Accessible surface: 364.375  Positive charged surface: 258.452  Negative charged surface: 105.922  Volume: 199.375
  Hydrophobic surface: 213.376  Hydrophilic surface: 150.999
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.