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CHEMBRIDGE-ZINC04651021

 MMsINC code: MMs00774360
Type: Neutral
Formula: C11H19NO3
SMILES:   OC(=O)CCC(=O)NC1CCCCCC1
InChI:   InChI=1/C11H19NO3/c13-10(7-8-11(14)15)12-9-5-3-1-2-4-6-9/h9H,1-8H2,(H,12,13)(H,14,15)

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Potential Energy
Epot(MMFF94)=14.3108 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.277 g/mol  logS: -1.50915  SlogP: 1.6902  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0722579  Sterimol/B1: 2.38506  Sterimol/B2: 3.00189  Sterimol/B3: 3.86015
  Sterimol/B4: 4.9111  Sterimol/L: 14.7859 
 
 Surface and Volume Properties
  Accessible surface: 443.22  Positive charged surface: 323.677  Negative charged surface: 119.543  Volume: 213.375
  Hydrophobic surface: 303.183  Hydrophilic surface: 140.037
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00774361
CHEMBRIDGE-ZINC04651021