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ASINEX-ZINC04502676

 MMsINC code: MMs00344419
Type: Neutral
Formula: C8H15NO2
SMILES:   OC(=O)CN1CC(CCC1)C
InChI:   InChI=1/C8H15NO2/c1-7-3-2-4-9(5-7)6-8(10)11/h7H,2-6H2,1H3,(H,10,11)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=26.8667 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 157.213 g/mol  logS: -0.44019  SlogP: 0.8029  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102048  Sterimol/B1: 2.48206  Sterimol/B2: 2.90257  Sterimol/B3: 3.11934
  Sterimol/B4: 5.45755  Sterimol/L: 11.7575 
 
 Surface and Volume Properties
  Accessible surface: 353.379  Positive charged surface: 271.919  Negative charged surface: 81.4593  Volume: 161.375
  Hydrophobic surface: 238.376  Hydrophilic surface: 115.003
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.