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NCID-ZINC01728292

 MMsINC code: MMs02351700
Type: Neutral
Formula: C8H15NO2
SMILES:   OC(=O)C1NC(CCC1)CC
InChI:   InChI=1/C8H15NO2/c1-2-6-4-3-5-7(9-6)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)/t6-,7+/m0/s1

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Potential Energy
Epot(MMFF94)=27.4109 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.213 g/mol  logS: -0.63645  SlogP: 0.9917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.237181  Sterimol/B1: 2.05508  Sterimol/B2: 2.66343  Sterimol/B3: 3.50252
  Sterimol/B4: 6.28043  Sterimol/L: 9.62845 
 
 Surface and Volume Properties
  Accessible surface: 346.18  Positive charged surface: 243.865  Negative charged surface: 102.315  Volume: 160.25
  Hydrophobic surface: 217.976  Hydrophilic surface: 128.204
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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: no related molecules available.