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NCID-ZINC01656028

 MMsINC code: MMs02294541
Type: Neutral
Formula: C10H19NO2
SMILES:   OC1(CC(CCC1)C)CNC(=O)C
InChI:   InChI=1/C10H19NO2/c1-8-4-3-5-10(13,6-8)7-11-9(2)12/h8,13H,3-7H2,1-2H3,(H,11,12)/t8-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=26.2324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -1.55429  SlogP: 1.0637  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.085775  Sterimol/B1: 2.43321  Sterimol/B2: 3.15954  Sterimol/B3: 3.33189
  Sterimol/B4: 5.42513  Sterimol/L: 13.2613 
 
 Surface and Volume Properties
  Accessible surface: 405.542  Positive charged surface: 296.411  Negative charged surface: 109.131  Volume: 195.125
  Hydrophobic surface: 308.786  Hydrophilic surface: 96.756
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.