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PUBCHEM-ZINC05458300

 MMsINC code: MMs03275727
Type: Neutral
Formula: C11H21NO2
SMILES:   O(C(=O)CCC1CC(N)CCC1)CC
InChI:   InChI=1/C11H21NO2/c1-2-14-11(13)7-6-9-4-3-5-10(12)8-9/h9-10H,2-8,12H2,1H3/t9-,10-/m1/s1

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Potential Energy
Epot(MMFF94)=12.2659 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -1.44667  SlogP: 1.8472  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0432209  Sterimol/B1: 2.86803  Sterimol/B2: 3.12703  Sterimol/B3: 3.74545
  Sterimol/B4: 3.97622  Sterimol/L: 15.5305 
 
 Surface and Volume Properties
  Accessible surface: 449.607  Positive charged surface: 352.15  Negative charged surface: 97.4572  Volume: 214.875
  Hydrophobic surface: 327.714  Hydrophilic surface: 121.893
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs03275728
PUBCHEM-ZINC05458300