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PUBCHEM-ZINC05527986

 MMsINC code: MMs03298535
Type: Neutral
Formula: C11H19NO3
SMILES:   OC(=O)CCCC(=O)N1CCCCC1C
InChI:   InChI=1/C11H19NO3/c1-9-5-2-3-8-12(9)10(13)6-4-7-11(14)15/h9H,2-8H2,1H3,(H,14,15)/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=33.1218 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.277 g/mol  logS: -0.69993  SlogP: 1.6423  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0559892  Sterimol/B1: 2.15153  Sterimol/B2: 2.99387  Sterimol/B3: 3.122
  Sterimol/B4: 6.74314  Sterimol/L: 14.2769 
 
 Surface and Volume Properties
  Accessible surface: 438.503  Positive charged surface: 333.094  Negative charged surface: 105.408  Volume: 215.75
  Hydrophobic surface: 306.144  Hydrophilic surface: 132.359
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs03298536
PUBCHEM-ZINC05527986