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ASINEX-ZINC03100963

 MMsINC code: MMs00286014
Type: Neutral
Formula: C13H23NO5
SMILES:   O1CCN(CC1)C(CC(O)=O)C(OCCCCC)=O
InChI:   InChI=1/C13H23NO5/c1-2-3-4-7-19-13(17)11(10-12(15)16)14-5-8-18-9-6-14/h11H,2-10H2,1H3,(H,15,16)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=69.3352 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.329 g/mol  logS: -1.62526  SlogP: 0.8953  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0617335  Sterimol/B1: 3.46874  Sterimol/B2: 3.8299  Sterimol/B3: 4.42828
  Sterimol/B4: 6.08997  Sterimol/L: 16.0339 
 
 Surface and Volume Properties
  Accessible surface: 540.08  Positive charged surface: 422.604  Negative charged surface: 117.476  Volume: 267
  Hydrophobic surface: 395.241  Hydrophilic surface: 144.839
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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: no related molecules available.