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PUBCHEM-ZINC05821265

 MMsINC code: MMs03400303
Type: Neutral
Formula: C11H21NO2
SMILES:   OC(=O)CC1CCCN(C1)CCCC
InChI:   InChI=1/C11H21NO2/c1-2-3-6-12-7-4-5-10(9-12)8-11(13)14/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=8.25529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -1.0391  SlogP: 1.9732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0584734  Sterimol/B1: 2.57114  Sterimol/B2: 3.56671  Sterimol/B3: 3.5842
  Sterimol/B4: 4.45553  Sterimol/L: 15.4962 
 
 Surface and Volume Properties
  Accessible surface: 441.69  Positive charged surface: 343.777  Negative charged surface: 97.9133  Volume: 214.75
  Hydrophobic surface: 325.103  Hydrophilic surface: 116.587
 
 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.