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PUBCHEM-ZINC01088633

 MMsINC code: MMs02767333
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+

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Potential Energy
Epot(MMFF94)=42.0928 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: 0.140747  Sterimol/B1: 2.54555  Sterimol/B2: 3.20706  Sterimol/B3: 3.59451
  Sterimol/B4: 6.61779  Sterimol/L: 11.7008 
 
 Surface and Volume Properties
  Accessible surface: 415.623  Positive charged surface: 302.343  Negative charged surface: 113.28  Volume: 199.875
  Hydrophobic surface: 296.039  Hydrophilic surface: 119.584
 
 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.