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OAKWOOD-ZINC04312850

 MMsINC code: MMs02553136
Type: Neutral
Formula: C11H21NO2
SMILES:   O(C(=O)CC(N)CC1CCCCC1)C
InChI:   InChI=1/C11H21NO2/c1-14-11(13)8-10(12)7-9-5-3-2-4-6-9/h9-10H,2-8,12H2,1H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=22.4467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.294 g/mol  logS: -2.57503  SlogP: 1.8472  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0759061  Sterimol/B1: 2.98261  Sterimol/B2: 3.54503  Sterimol/B3: 3.70668
  Sterimol/B4: 4.3341  Sterimol/L: 14.7224 
 
 Surface and Volume Properties
  Accessible surface: 440.904  Positive charged surface: 357.239  Negative charged surface: 83.6651  Volume: 215.625
  Hydrophobic surface: 358.037  Hydrophilic surface: 82.867
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs02553137
OAKWOOD-ZINC04312850