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NCID-ZINC04804245

 MMsINC code: MMs02408528
Type: Neutral
Formula: C10H19NO2
SMILES:   OC(=O)CC1CC(C(N)C)C1(C)C
InChI:   InChI=1/C10H19NO2/c1-6(11)8-4-7(5-9(12)13)10(8,2)3/h6-8H,4-5,11H2,1-3H3,(H,12,13)/t6-,7-,8+/m1/s1

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Potential Energy
Epot(MMFF94)=25.3196 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -1.22235  SlogP: 1.4706  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.181287  Sterimol/B1: 3.37471  Sterimol/B2: 3.38046  Sterimol/B3: 4.19522
  Sterimol/B4: 4.35203  Sterimol/L: 12.2886 
 
 Surface and Volume Properties
  Accessible surface: 391.42  Positive charged surface: 228.229  Negative charged surface: 112.46  Volume: 196.25
  Hydrophobic surface: 193.663  Hydrophilic surface: 197.757
 
 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.