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CHEMBLOCK-ZINC04127272

 MMsINC code: MMs00543194
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+/m0/s1

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Potential Energy
Epot(MMFF94)=43.714 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: 0.151334  Sterimol/B1: 2.75568  Sterimol/B2: 2.81515  Sterimol/B3: 3.23381
  Sterimol/B4: 6.13366  Sterimol/L: 10.8582 
 
 Surface and Volume Properties
  Accessible surface: 388.593  Positive charged surface: 306.509  Negative charged surface: 82.0834  Volume: 202.125
  Hydrophobic surface: 326.761  Hydrophilic surface: 61.832
 
 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.