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ASINEX-ZINC00201649

 MMsINC code: MMs00091318
Type: Neutral
Formula: C13H22N2O3
SMILES:   OC(=O)C1CCCCC1C(=O)N1CCN(CC1)C
InChI:   InChI=1/C13H22N2O3/c1-14-6-8-15(9-7-14)12(16)10-4-2-3-5-11(10)13(17)18/h10-11H,2-9H2,1H3,(H,17,18)/t10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=54.9392 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.33 g/mol  logS: -0.79547  SlogP: 0.6514  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150172  Sterimol/B1: 3.13779  Sterimol/B2: 4.01703  Sterimol/B3: 4.63346
  Sterimol/B4: 5.22528  Sterimol/L: 12.838 
 
 Surface and Volume Properties
  Accessible surface: 462.716  Positive charged surface: 383.127  Negative charged surface: 79.5896  Volume: 248
  Hydrophobic surface: 369.491  Hydrophilic surface: 93.225
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.