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IBS-ZINC02151107

 MMsINC code: MMs01795910
Type: Neutral
Formula: C11H21NO4
SMILES:   OC(=O)CCCCC(N)CCCCC(O)=O
InChI:   InChI=1/C11H21NO4/c12-9(5-1-3-7-10(13)14)6-2-4-8-11(15)16/h9H,1-8,12H2,(H,13,14)(H,15,16)

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Potential Energy
Epot(MMFF94)=-5.96938 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.292 g/mol  logS: -0.24804  SlogP: 1.6037  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0299071  Sterimol/B1: 2.66797  Sterimol/B2: 3.22818  Sterimol/B3: 3.27339
  Sterimol/B4: 3.75304  Sterimol/L: 19.0077 
 
 Surface and Volume Properties
  Accessible surface: 500.32  Positive charged surface: 360.975  Negative charged surface: 139.345  Volume: 234.875
  Hydrophobic surface: 257.913  Hydrophilic surface: 242.407
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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


MMs01795911
IBS-ZINC02151107