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NCID-ZINC01665154

 MMsINC code: MMs02301317
Type: Neutral
Formula: C8H15NO2
SMILES:   OC(=O)C1(N)CCCC1CC
InChI:   InChI=1/C8H15NO2/c1-2-6-4-3-5-8(6,9)7(10)11/h6H,2-5,9H2,1H3,(H,10,11)/t6-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=43.6381 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.213 g/mol  logS: -0.95065  SlogP: 0.9786  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.297358  Sterimol/B1: 3.29572  Sterimol/B2: 3.72353  Sterimol/B3: 3.80586
  Sterimol/B4: 5.21485  Sterimol/L: 9.54408 
 
 Surface and Volume Properties
  Accessible surface: 341.645  Positive charged surface: 244.442  Negative charged surface: 97.2036  Volume: 160.5
  Hydrophobic surface: 198.895  Hydrophilic surface: 142.75
 
 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.