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ASINEX-ZINC00204075

 MMsINC code: MMs00091841
Type: Neutral
Formula: C11H19NO3
SMILES:   OC(=O)CCCC(=O)N1CCC(CC1)C
InChI:   InChI=1/C11H19NO3/c1-9-5-7-12(8-6-9)10(13)3-2-4-11(14)15/h9H,2-8H2,1H3,(H,14,15)

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Potential Energy
Epot(MMFF94)=8.7929 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 213.277 g/mol  logS: -0.88794  SlogP: 1.4998  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0578961  Sterimol/B1: 2.51552  Sterimol/B2: 2.96069  Sterimol/B3: 4.23193
  Sterimol/B4: 4.77333  Sterimol/L: 15.4713 
 
 Surface and Volume Properties
  Accessible surface: 448.697  Positive charged surface: 335.715  Negative charged surface: 112.981  Volume: 216.25
  Hydrophobic surface: 297.266  Hydrophilic surface: 151.431
 
 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


MMs00091842
ASINEX-ZINC00204075