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PUBCHEM-ZINC06442702

 MMsINC code: MMs03732713
Type: Neutral
Formula: C8H15NO2
SMILES:   O(C(=O)C(N1CC1(C)C)C)C
InChI:   InChI=1/C8H15NO2/c1-6(7(10)11-4)9-5-8(9,2)3/h6H,5H2,1-4H3/t6-,9+/m1/s1

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Potential Energy
Epot(MMFF94)=70.7584 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.213 g/mol  logS: -1.02707  SlogP: 0.6421  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.188581  Sterimol/B1: 1.9992  Sterimol/B2: 3.3333  Sterimol/B3: 3.55489
  Sterimol/B4: 5.93279  Sterimol/L: 10.6136 
 
 Surface and Volume Properties
  Accessible surface: 370.292  Positive charged surface: 258.164  Negative charged surface: 112.127  Volume: 166.625
  Hydrophobic surface: 313.039  Hydrophilic surface: 57.253
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03732714
PUBCHEM-ZINC06442702