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OAKWOOD-ZINC04242283

 MMsINC code: MMs02548513
Type: Neutral
Formula: C10H20N2O2
SMILES:   OC(=O)CN1CCN(CC1)C(CC)C
InChI:   InChI=1/C10H20N2O2/c1-3-9(2)12-6-4-11(5-7-12)8-10(13)14/h9H,3-8H2,1-2H3,(H,13,14)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=66.5385 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 200.282 g/mol  logS: -0.38719  SlogP: 0.4871  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.178963  Sterimol/B1: 2.41769  Sterimol/B2: 2.5096  Sterimol/B3: 4.76196
  Sterimol/B4: 5.16751  Sterimol/L: 12.7036 
 
 Surface and Volume Properties
  Accessible surface: 419.179  Positive charged surface: 324.976  Negative charged surface: 94.2032  Volume: 208.375
  Hydrophobic surface: 282.123  Hydrophilic surface: 137.056
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.