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OAKWOOD-ZINC04312851

 MMsINC code: MMs02553138
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-/m0/s1

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Potential Energy
Epot(MMFF94)=17.9965 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: 0.0740925  Sterimol/B1: 2.93983  Sterimol/B2: 3.55538  Sterimol/B3: 3.74334
  Sterimol/B4: 4.31194  Sterimol/L: 14.7309 
 
 Surface and Volume Properties
  Accessible surface: 441.156  Positive charged surface: 360.104  Negative charged surface: 81.0528  Volume: 213.875
  Hydrophobic surface: 361.642  Hydrophilic surface: 79.514
 
 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


MMs02553139
OAKWOOD-ZINC04312851