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PUBCHEM-ZINC02742653

 MMsINC code: MMs02914783
Type: Neutral
Formula: C10H19NO2
SMILES:   O1C(CN(CC1C)C(=O)C(C)C)C
InChI:   InChI=1/C10H19NO2/c1-7(2)10(12)11-5-8(3)13-9(4)6-11/h7-9H,5-6H2,1-4H3/t8-,9-/m0/s1

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Potential Energy
Epot(MMFF94)=47.4065 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -1.01392  SlogP: 1.2782  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.192616  Sterimol/B1: 2.12314  Sterimol/B2: 2.90505  Sterimol/B3: 4.42837
  Sterimol/B4: 5.63206  Sterimol/L: 11.7589 
 
 Surface and Volume Properties
  Accessible surface: 397.079  Positive charged surface: 289.871  Negative charged surface: 107.208  Volume: 200.125
  Hydrophobic surface: 284.151  Hydrophilic surface: 112.928
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.