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CHEMBRIDGE-ZINC01603041

 MMsINC code: MMs00694752
Type: Neutral
Formula: C11H19NO3
SMILES:   OC(=O)CCC(=O)N(C)C1CCCCC1
InChI:   InChI=1/C11H19NO3/c1-12(9-5-3-2-4-6-9)10(13)7-8-11(14)15/h9H,2-8H2,1H3,(H,14,15)

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Potential Energy
Epot(MMFF94)=7.98071 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.277 g/mol  logS: -0.88794  SlogP: 1.6423  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0984365  Sterimol/B1: 1.969  Sterimol/B2: 3.62375  Sterimol/B3: 3.62495
  Sterimol/B4: 5.1699  Sterimol/L: 14.8883 
 
 Surface and Volume Properties
  Accessible surface: 441.526  Positive charged surface: 329.731  Negative charged surface: 111.795  Volume: 216.75
  Hydrophobic surface: 314.829  Hydrophilic surface: 126.697
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00694753
CHEMBRIDGE-ZINC01603041