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PUBCHEM-ZINC02036582

 MMsINC code: MMs02861355
Type: Neutral
Formula: C10H19NO2
SMILES:   OC(=O)C(N)(C(C)C)C1CCCC1
InChI:   InChI=1/C10H19NO2/c1-7(2)10(11,9(12)13)8-5-3-4-6-8/h7-8H,3-6,11H2,1-2H3,(H,12,13)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=63.3013 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -1.66764  SlogP: 1.6147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.246818  Sterimol/B1: 2.14944  Sterimol/B2: 2.32805  Sterimol/B3: 4.78283
  Sterimol/B4: 6.13804  Sterimol/L: 10.3901 
 
 Surface and Volume Properties
  Accessible surface: 372.912  Positive charged surface: 271.609  Negative charged surface: 101.303  Volume: 194.125
  Hydrophobic surface: 241.865  Hydrophilic surface: 131.047
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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: no related molecules available.