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NCID-ZINC01665182

 MMsINC code: MMs02301342
Type: Neutral
Formula: C10H19NO2
SMILES:   OC(=O)C1(N)CCCC1CCCC
InChI:   InChI=1/C10H19NO2/c1-2-3-5-8-6-4-7-10(8,11)9(12)13/h8H,2-7,11H2,1H3,(H,12,13)/t8-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=43.4046 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.267 g/mol  logS: -1.98109  SlogP: 1.7588  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131855  Sterimol/B1: 3.37806  Sterimol/B2: 3.59568  Sterimol/B3: 3.73393
  Sterimol/B4: 5.25914  Sterimol/L: 12.0337 
 
 Surface and Volume Properties
  Accessible surface: 402.482  Positive charged surface: 297.293  Negative charged surface: 105.19  Volume: 196.125
  Hydrophobic surface: 258.279  Hydrophilic surface: 144.203
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.