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CHEMBLOCK-ZINC01076016

 MMsINC code: MMs00514303
Type: Neutral
Formula: C11H19NO2
SMILES:   OC1C2C(N(CC1)C(=O)C)CCCC2
InChI:   InChI=1/C11H19NO2/c1-8(13)12-7-6-11(14)9-4-2-3-5-10(9)12/h9-11,14H,2-7H2,1H3/t9-,10+,11-/m1/s1

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Potential Energy
Epot(MMFF94)=86.1497 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 197.278 g/mol  logS: -1.15825  SlogP: 1.1583  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.365792  Sterimol/B1: 2.16696  Sterimol/B2: 2.9642  Sterimol/B3: 3.99156
  Sterimol/B4: 7.10206  Sterimol/L: 9.66767 
 
 Surface and Volume Properties
  Accessible surface: 376.344  Positive charged surface: 295.041  Negative charged surface: 81.3035  Volume: 198.25
  Hydrophobic surface: 317.067  Hydrophilic surface: 59.277
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.